N-[[5-[4,4-bis(2-methoxyethyl)cyclohexen-1-yl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4,4-bis(2-methoxyethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one;methane;N-methyl-N-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine

C98H174N18O7 — CID 159623846

IUPACN-[[5-[4,4-bis(2-methoxyethyl)cyclohexen-1-yl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4,4-bis(2-methoxyethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one;methane;N-methyl-N-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESC.C.C=C1NC(=O)C2(CCC(c3[nH]ncc3CN(C)CCCC)CC2)N1.CCCCN(C)Cc1cn[nH]c1C1=CCC(CCOC)(CCOC)CC1.CCCCN(C)Cc1cn[nH]c1C1CCC(CCOC)(CCOC)CC1.CCCCN(C)Cc1cn[nH]c1C1CCC2(CCCO2)CC1.CCCCN(C)Cc1cn[nH]c1C1CCC2(CCNC2=O)CC1
InChIInChI=1S/C21H39N3O2.C21H37N3O2.C18H29N5O.C18H30N4O.C18H31N3O.2CH4/c2*1-5-6-13-24(2)17-19-16-22-23-20(19)18-7-9-21(10-8-18,11-14-25-3)12-15-26-4;1-4-5-10-23(3)12-15-11-19-22-16(15)14-6-8-18(9-7-14)17(24)20-13(2)21-18;1-3-4-11-22(2)13-15-12-20-21-16(15)14-5-7-18(8-6-14)9-10-19-17(18)23;1-3-4-11-21(2)14-16-13-19-20-17(16)15-6-9-18(10-7-15)8-5-12-22-18;;/h16,18H,5-15,17H2,1-4H3,(H,22,23);7,16H,5-6,8-15,17H2,1-4H3,(H,22,23);11,14,21H,2,4-10,12H2,1,3H3,(H,19,22)(H,20,24);12,14H,3-11,13H2,1-2H3,(H,19,23)(H,20,21);13,15H,3-12,14H2,1-2H3,(H,19,20);2*1H4
InChIKeyMOFSQHBQENMDSF-UHFFFAOYSA-N
MW1716.59 g/mol
LogP18.78
Rot. Bonds42

About N-[[5-[4,4-bis(2-methoxyethyl)cyclohexen-1-yl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4,4-bis(2-methoxyethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one;methane;N-methyl-N-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine

N-[[5-[4,4-bis(2-methoxyethyl)cyclohexen-1-yl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4,4-bis(2-methoxyethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one;methane;N-methyl-N-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine (PubChem CID 159623846) has the molecular formula C98H174N18O7 and a molecular weight of 1716.59 g/mol. Its IUPAC name is N-[[5-[4,4-bis(2-methoxyethyl)cyclohexen-1-yl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4,4-bis(2-methoxyethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one;methane;N-methyl-N-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[5-[4,4-bis(2-methoxyethyl)cyclohexen-1-yl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4,4-bis(2-methoxyethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one;methane;N-methyl-N-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine
PubChem CID159623846
Molecular FormulaC98H174N18O7
Molecular Weight1716.59 g/mol
Exact Mass1715.38
IUPAC NameN-[[5-[4,4-bis(2-methoxyethyl)cyclohexen-1-yl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4,4-bis(2-methoxyethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one;methane;N-methyl-N-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESC.C.C=C1NC(=O)C2(CCC(c3[nH]ncc3CN(C)CCCC)CC2)N1.CCCCN(C)Cc1cn[nH]c1C1=CCC(CCOC)(CCOC)CC1.CCCCN(C)Cc1cn[nH]c1C1CCC(CCOC)(CCOC)CC1.CCCCN(C)Cc1cn[nH]c1C1CCC2(CCCO2)CC1.CCCCN(C)Cc1cn[nH]c1C1CCC2(CCNC2=O)CC1
InChIInChI=1S/C21H39N3O2.C21H37N3O2.C18H29N5O.C18H30N4O.C18H31N3O.2CH4/c2*1-5-6-13-24(2)17-19-16-22-23-20(19)18-7-9-21(10-8-18,11-14-25-3)12-15-26-4;1-4-5-10-23(3)12-15-11-19-22-16(15)14-6-8-18(9-7-14)17(24)20-13(2)21-18;1-3-4-11-22(2)13-15-12-20-21-16(15)14-5-7-18(8-6-14)9-10-19-17(18)23;1-3-4-11-21(2)14-16-13-19-20-17(16)15-6-9-18(10-7-15)8-5-12-22-18;;/h16,18H,5-15,17H2,1-4H3,(H,22,23);7,16H,5-6,8-15,17H2,1-4H3,(H,22,23);11,14,21H,2,4-10,12H2,1,3H3,(H,19,22)(H,20,24);12,14H,3-11,13H2,1-2H3,(H,19,23)(H,20,21);13,15H,3-12,14H2,1-2H3,(H,19,20);2*1H4
InChIKeyMOFSQHBQENMDSF-UHFFFAOYSA-N
XLogP18.78
TPSA275.98 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds42
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001716.59
LogP ≤ 518.78
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze N-[[5-[4,4-bis(2-methoxyethyl)cyclohexen-1-yl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4,4-bis(2-methoxyethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one;methane;N-methyl-N-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine with MolForge

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Related Compounds

N,N'-dimethyl-N'-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 118685680
N-[[5-(3,3-dimethyl-2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
CID 149172491
N-[[5-[3,5-bis(methoxymethyl)-4,4-dimethylcyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
CID 148868841
N-[[5-[(3R)-4,4-dimethyl-3-(oxan-4-ylmethoxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-(3,3-dimethyl-1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]-N-methylbutan-1-amine;N-[[5-[(3R)-3-(3-methoxypropoxy)-4,4-dimethylcyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[(2-spiro[4.5]decan-8-ylpyrazol-3-yl)methyl]butan-1-amine
CID 159972433
N'-[[5-[4-(methoxymethyl)-4-(oxan-4-yloxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 118971580
N'-[[5-(4,4-dimethylcyclohexyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine;formaldehyde;2-methoxy-N-methylethanamine
CID 145047902
N,N'-dimethyl-N'-[(5-spiro[5.5]undecan-3-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 118685676
3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 118688358
N'-[[5-(1,1-dimethyl-2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 90461186
N,N'-dimethyl-N'-[[5-(2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 118685683
N-[[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
CID 162290999
1-benzyl-5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]piperidin-2-one
CID 158321054

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4,4-bis(2-methoxyethyl)cyclohexen-1-yl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4,4-bis(2-methoxyethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one;methane;N-methyl-N-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine?
The IUPAC name of N-[[5-[4,4-bis(2-methoxyethyl)cyclohexen-1-yl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4,4-bis(2-methoxyethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one;methane;N-methyl-N-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine (CID 159623846) is N-[[5-[4,4-bis(2-methoxyethyl)cyclohexen-1-yl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4,4-bis(2-methoxyethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one;methane;N-methyl-N-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine.
What is the SMILES notation for N-[[5-[4,4-bis(2-methoxyethyl)cyclohexen-1-yl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4,4-bis(2-methoxyethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one;methane;N-methyl-N-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine?
The canonical SMILES for N-[[5-[4,4-bis(2-methoxyethyl)cyclohexen-1-yl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4,4-bis(2-methoxyethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one;methane;N-methyl-N-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine is C.C.C=C1NC(=O)C2(CCC(c3[nH]ncc3CN(C)CCCC)CC2)N1.CCCCN(C)Cc1cn[nH]c1C1=CCC(CCOC)(CCOC)CC1.CCCCN(C)Cc1cn[nH]c1C1CCC(CCOC)(CCOC)CC1.CCCCN(C)Cc1cn[nH]c1C1CCC2(CCCO2)CC1.CCCCN(C)Cc1cn[nH]c1C1CCC2(CCNC2=O)CC1.
What is the InChIKey of N-[[5-[4,4-bis(2-methoxyethyl)cyclohexen-1-yl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4,4-bis(2-methoxyethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one;methane;N-methyl-N-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine?
The InChIKey is MOFSQHBQENMDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O2.C21H37N3O2.C18H29N5O.C18H30N4O.C18H31N3O.2CH4/c2*1-5-6-13-24(2)17-19-16-22-23-20(19)18-7-9-21(10-8-18,11-14-25-3)12-15-26-4;1-4-5-10-23(3)12-15-11-19-22-16(15)14-6-8-18(9-7-14)17(24)20-13(2)21-18;1-3-4-11-22(2)13-15-12-20-21-16(15)14-5-7-18(8-6-14)9-10-19-17(18)23;1-3-4-11-21(2)14-16-13-19-20-17(16)15-6-9-18(10-7-15)8-5-12-22-18;;/h16,18H,5-15,17H2,1-4H3,(H,22,23);7,16H,5-6,8-15,17H2,1-4H3,(H,22,23);11,14,21H,2,4-10,12H2,1,3H3,(H,19,22)(H,20,24);12,14H,3-11,13H2,1-2H3,(H,19,23)(H,20,21);13,15H,3-12,14H2,1-2H3,(H,19,20);2*1H4.
What are the key properties of N-[[5-[4,4-bis(2-methoxyethyl)cyclohexen-1-yl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4,4-bis(2-methoxyethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one;methane;N-methyl-N-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine?
N-[[5-[4,4-bis(2-methoxyethyl)cyclohexen-1-yl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4,4-bis(2-methoxyethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one;methane;N-methyl-N-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine has a molecular weight of 1716.59 g/mol, XLogP of 18.78, 42 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4,4-bis(2-methoxyethyl)cyclohexen-1-yl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-[4,4-bis(2-methoxyethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one;8-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-methylidene-1,3-diazaspiro[4.5]decan-4-one;methane;N-methyl-N-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 159623846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).