(1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride

C18H23ClN4O2 — CID 154897157

IUPAC(1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
SMILESCOc1cccc(-n2cc(CN(C)C(=O)C3[C@H]4CNC[C@@H]34)cn2)c1.Cl
InChIInChI=1S/C18H22N4O2.ClH/c1-21(18(23)17-15-8-19-9-16(15)17)10-12-7-20-22(11-12)13-4-3-5-14(6-13)24-2;/h3-7,11,15-17,19H,8-10H2,1-2H3;1H/t15-,16+,17?;
InChIKeyVVVQIZUAUFBDJN-NDRUTXPUSA-N
MW362.86 g/mol
LogP1.73
Rot. Bonds5

About (1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride

(1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride (PubChem CID 154897157) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is (1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
PubChem CID154897157
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name(1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
SMILESCOc1cccc(-n2cc(CN(C)C(=O)C3[C@H]4CNC[C@@H]34)cn2)c1.Cl
InChIInChI=1S/C18H22N4O2.ClH/c1-21(18(23)17-15-8-19-9-16(15)17)10-12-7-20-22(11-12)13-4-3-5-14(6-13)24-2;/h3-7,11,15-17,19H,8-10H2,1-2H3;1H/t15-,16+,17?;
InChIKeyVVVQIZUAUFBDJN-NDRUTXPUSA-N
XLogP1.73
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride 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-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylindolizine-3-carboxamide
CID 162630973
(4aR,6S,8aR)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide;hydrochloride
CID 163335027
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 86284156
2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
CID 95897893
(1R,5R,6R)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-azabicyclo[3.2.0]heptane-6-carboxamide
CID 139020507
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide
CID 70732597
2-(3-hydroxypiperidin-1-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
CID 56905821
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 131915151
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154911334
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 56884552
(2R)-2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 124757474
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 26335479

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
The IUPAC name of (1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride (CID 154897157) is (1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride.
What is the SMILES notation for (1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
The canonical SMILES for (1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride is COc1cccc(-n2cc(CN(C)C(=O)C3[C@H]4CNC[C@@H]34)cn2)c1.Cl.
What is the InChIKey of (1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
The InChIKey is VVVQIZUAUFBDJN-NDRUTXPUSA-N. The full InChI is InChI=1S/C18H22N4O2.ClH/c1-21(18(23)17-15-8-19-9-16(15)17)10-12-7-20-22(11-12)13-4-3-5-14(6-13)24-2;/h3-7,11,15-17,19H,8-10H2,1-2H3;1H/t15-,16+,17?;.
What are the key properties of (1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
(1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride has a molecular weight of 362.86 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride is sourced from PubChem (CID 154897157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).