N-[[5-[3-cyclopentyloxy-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-[4-(cyclopropylmethoxy)phenyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;methane;N-[[5-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine

C80H119F5N14O4 — CID 159280405

IUPACN-[[5-[3-cyclopentyloxy-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-[4-(cyclopropylmethoxy)phenyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;methane;N-[[5-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESC.C.CCCCN(C)Cc1ccnn1-c1ccc(OCC2CC2)cc1.CCCCN(C)Cc1cn[nH]c1-c1cc(OC2CCCC2)cc(C(C)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(N2CCCC2)nc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCOC)c(C(F)(F)F)c1
InChIInChI=1S/C22H31F2N3O.C19H26F3N3O2.C19H27N3O.C18H27N5.2CH4/c1-4-5-10-27(3)15-17-14-25-26-21(17)16-11-18(22(2,23)24)13-20(12-16)28-19-8-6-7-9-19;1-4-5-8-25(2)13-15-12-23-24-18(15)14-6-7-17(27-10-9-26-3)16(11-14)19(20,21)22;1-3-4-13-21(2)14-18-11-12-20-22(18)17-7-9-19(10-8-17)23-15-16-5-6-16;1-3-4-9-22(2)14-16-13-20-21-18(16)15-7-8-17(19-12-15)23-10-5-6-11-23;;/h11-14,19H,4-10,15H2,1-3H3,(H,25,26);6-7,11-12H,4-5,8-10,13H2,1-3H3,(H,23,24);7-12,16H,3-6,13-15H2,1-2H3;7-8,12-13H,3-6,9-11,14H2,1-2H3,(H,20,21);2*1H4
InChIKeyKYVNPQOPCFLBJW-UHFFFAOYSA-N
MW1435.92 g/mol
LogP18.56
Rot. Bonds35

About N-[[5-[3-cyclopentyloxy-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-[4-(cyclopropylmethoxy)phenyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;methane;N-[[5-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine

N-[[5-[3-cyclopentyloxy-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-[4-(cyclopropylmethoxy)phenyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;methane;N-[[5-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine (PubChem CID 159280405) has the molecular formula C80H119F5N14O4 and a molecular weight of 1435.92 g/mol. Its IUPAC name is N-[[5-[3-cyclopentyloxy-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-[4-(cyclopropylmethoxy)phenyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;methane;N-[[5-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[5-[3-cyclopentyloxy-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-[4-(cyclopropylmethoxy)phenyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;methane;N-[[5-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
PubChem CID159280405
Molecular FormulaC80H119F5N14O4
Molecular Weight1435.92 g/mol
Exact Mass1434.95
IUPAC NameN-[[5-[3-cyclopentyloxy-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-[4-(cyclopropylmethoxy)phenyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;methane;N-[[5-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
SMILESC.C.CCCCN(C)Cc1ccnn1-c1ccc(OCC2CC2)cc1.CCCCN(C)Cc1cn[nH]c1-c1cc(OC2CCCC2)cc(C(C)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(N2CCCC2)nc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCOC)c(C(F)(F)F)c1
InChIInChI=1S/C22H31F2N3O.C19H26F3N3O2.C19H27N3O.C18H27N5.2CH4/c1-4-5-10-27(3)15-17-14-25-26-21(17)16-11-18(22(2,23)24)13-20(12-16)28-19-8-6-7-9-19;1-4-5-8-25(2)13-15-12-23-24-18(15)14-6-7-17(27-10-9-26-3)16(11-14)19(20,21)22;1-3-4-13-21(2)14-18-11-12-20-22(18)17-7-9-19(10-8-17)23-15-16-5-6-16;1-3-4-9-22(2)14-16-13-20-21-18(16)15-7-8-17(19-12-15)23-10-5-6-11-23;;/h11-14,19H,4-10,15H2,1-3H3,(H,25,26);6-7,11-12H,4-5,8-10,13H2,1-3H3,(H,23,24);7-12,16H,3-6,13-15H2,1-2H3;7-8,12-13H,3-6,9-11,14H2,1-2H3,(H,20,21);2*1H4
InChIKeyKYVNPQOPCFLBJW-UHFFFAOYSA-N
XLogP18.56
TPSA169.87 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds35
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001435.92
LogP ≤ 518.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze N-[[5-[3-cyclopentyloxy-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-[4-(cyclopropylmethoxy)phenyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;methane;N-[[5-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-cyclopentyloxy-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-[4-(cyclopropylmethoxy)phenyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;methane;N-[[5-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine?
The IUPAC name of N-[[5-[3-cyclopentyloxy-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-[4-(cyclopropylmethoxy)phenyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;methane;N-[[5-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine (CID 159280405) is N-[[5-[3-cyclopentyloxy-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-[4-(cyclopropylmethoxy)phenyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;methane;N-[[5-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine.
What is the SMILES notation for N-[[5-[3-cyclopentyloxy-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-[4-(cyclopropylmethoxy)phenyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;methane;N-[[5-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine?
The canonical SMILES for N-[[5-[3-cyclopentyloxy-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-[4-(cyclopropylmethoxy)phenyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;methane;N-[[5-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine is C.C.CCCCN(C)Cc1ccnn1-c1ccc(OCC2CC2)cc1.CCCCN(C)Cc1cn[nH]c1-c1cc(OC2CCCC2)cc(C(C)(F)F)c1.CCCCN(C)Cc1cn[nH]c1-c1ccc(N2CCCC2)nc1.CCCCN(C)Cc1cn[nH]c1-c1ccc(OCCOC)c(C(F)(F)F)c1.
What is the InChIKey of N-[[5-[3-cyclopentyloxy-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-[4-(cyclopropylmethoxy)phenyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;methane;N-[[5-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine?
The InChIKey is KYVNPQOPCFLBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F2N3O.C19H26F3N3O2.C19H27N3O.C18H27N5.2CH4/c1-4-5-10-27(3)15-17-14-25-26-21(17)16-11-18(22(2,23)24)13-20(12-16)28-19-8-6-7-9-19;1-4-5-8-25(2)13-15-12-23-24-18(15)14-6-7-17(27-10-9-26-3)16(11-14)19(20,21)22;1-3-4-13-21(2)14-18-11-12-20-22(18)17-7-9-19(10-8-17)23-15-16-5-6-16;1-3-4-9-22(2)14-16-13-20-21-18(16)15-7-8-17(19-12-15)23-10-5-6-11-23;;/h11-14,19H,4-10,15H2,1-3H3,(H,25,26);6-7,11-12H,4-5,8-10,13H2,1-3H3,(H,23,24);7-12,16H,3-6,13-15H2,1-2H3;7-8,12-13H,3-6,9-11,14H2,1-2H3,(H,20,21);2*1H4.
What are the key properties of N-[[5-[3-cyclopentyloxy-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-[4-(cyclopropylmethoxy)phenyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;methane;N-[[5-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine?
N-[[5-[3-cyclopentyloxy-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-[4-(cyclopropylmethoxy)phenyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;methane;N-[[5-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine has a molecular weight of 1435.92 g/mol, XLogP of 18.56, 35 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-cyclopentyloxy-5-(1,1-difluoroethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[2-[4-(cyclopropylmethoxy)phenyl]pyrazol-3-yl]methyl]-N-methylbutan-1-amine;methane;N-[[5-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 159280405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).