N-[[4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

C58H80F9N9O5 — CID 158899776

IUPACN-[[4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESCCCCN(C)Cc1[nH]ncc1-c1ccc(OCCCOC)c(C(F)(F)F)c1.CCCCN(C)Cc1[nH]ncc1-c1ccc(OCCOC)c(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1cc(OCCC)cc(C(F)(F)F)c1
InChIInChI=1S/C20H28F3N3O2.C19H26F3N3O2.C19H26F3N3O/c1-4-5-9-26(2)14-18-16(13-24-25-18)15-7-8-19(28-11-6-10-27-3)17(12-15)20(21,22)23;1-4-5-8-25(2)13-17-15(12-23-24-17)14-6-7-18(27-10-9-26-3)16(11-14)19(20,21)22;1-4-6-7-25(3)13-15-12-23-24-18(15)14-9-16(19(20,21)22)11-17(10-14)26-8-5-2/h7-8,12-13H,4-6,9-11,14H2,1-3H3,(H,24,25);6-7,11-12H,4-5,8-10,13H2,1-3H3,(H,23,24);9-12H,4-8,13H2,1-3H3,(H,23,24)
InChIKeyJFHCUGLPOZBUAM-UHFFFAOYSA-N
MW1154.32 g/mol
LogP14.21
Rot. Bonds30

About N-[[4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine

N-[[4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (PubChem CID 158899776) has the molecular formula C58H80F9N9O5 and a molecular weight of 1154.32 g/mol. Its IUPAC name is N-[[4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
PubChem CID158899776
Molecular FormulaC58H80F9N9O5
Molecular Weight1154.32 g/mol
Exact Mass1153.61
IUPAC NameN-[[4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESCCCCN(C)Cc1[nH]ncc1-c1ccc(OCCCOC)c(C(F)(F)F)c1.CCCCN(C)Cc1[nH]ncc1-c1ccc(OCCOC)c(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1cc(OCCC)cc(C(F)(F)F)c1
InChIInChI=1S/C20H28F3N3O2.C19H26F3N3O2.C19H26F3N3O/c1-4-5-9-26(2)14-18-16(13-24-25-18)15-7-8-19(28-11-6-10-27-3)17(12-15)20(21,22)23;1-4-5-8-25(2)13-17-15(12-23-24-17)14-6-7-18(27-10-9-26-3)16(11-14)19(20,21)22;1-4-6-7-25(3)13-15-12-23-24-18(15)14-9-16(19(20,21)22)11-17(10-14)26-8-5-2/h7-8,12-13H,4-6,9-11,14H2,1-3H3,(H,24,25);6-7,11-12H,4-5,8-10,13H2,1-3H3,(H,23,24);9-12H,4-8,13H2,1-3H3,(H,23,24)
InChIKeyJFHCUGLPOZBUAM-UHFFFAOYSA-N
XLogP14.21
TPSA141.91 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds30
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001154.32
LogP ≤ 514.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-dimethyl-N'-[[5-[3-(2-phenylethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117615952
N'-[[5-[3-(2-cyclohexylethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 117615953
N'-[[5-[4-(3-methoxypropoxy)-2-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 85472895
N'-[[5-[3-(2-methoxyethoxy)-2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 85473016
N'-[[4-[2-fluoro-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 85473021
N'-methyl-N'-[[4-[2-methyl-4-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine
CID 85473143
N'-[[5-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 86300777
N'-[[4-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N'-methylethane-1,2-diamine
CID 117613031
N'-[[4-[5-(1,1-difluoroethyl)-2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N'-methylethane-1,2-diamine
CID 117613038
N-methyl-N-[[4-[2-methyl-4-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine
CID 117613041
N'-methyl-N'-[[4-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine
CID 117613376
N'-methyl-N'-[[4-[4-phenoxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine
CID 117613378

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The IUPAC name of N-[[4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine (CID 158899776) is N-[[4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine.
What is the SMILES notation for N-[[4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The canonical SMILES for N-[[4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is CCCCN(C)Cc1[nH]ncc1-c1ccc(OCCCOC)c(C(F)(F)F)c1.CCCCN(C)Cc1[nH]ncc1-c1ccc(OCCOC)c(C(F)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1cc(OCCC)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
The InChIKey is JFHCUGLPOZBUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O2.C19H26F3N3O2.C19H26F3N3O/c1-4-5-9-26(2)14-18-16(13-24-25-18)15-7-8-19(28-11-6-10-27-3)17(12-15)20(21,22)23;1-4-5-8-25(2)13-17-15(12-23-24-17)14-6-7-18(27-10-9-26-3)16(11-14)19(20,21)22;1-4-6-7-25(3)13-15-12-23-24-18(15)14-9-16(19(20,21)22)11-17(10-14)26-8-5-2/h7-8,12-13H,4-6,9-11,14H2,1-3H3,(H,24,25);6-7,11-12H,4-5,8-10,13H2,1-3H3,(H,23,24);9-12H,4-8,13H2,1-3H3,(H,23,24).
What are the key properties of N-[[4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine?
N-[[4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine has a molecular weight of 1154.32 g/mol, XLogP of 14.21, 30 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[4-(3-methoxypropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-[3-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 158899776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).