(1S,5R)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-(2-phenylacetyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

C28H32N4O2 — CID 155813550

IUPAC(1S,5R)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-(2-phenylacetyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)Cc1cc(CNC(=O)C2[C@H]3CN(C(=O)Cc4ccccc4)C[C@@H]23)nn1-c1ccccc1
InChIInChI=1S/C28H32N4O2/c1-19(2)13-23-15-21(30-32(23)22-11-7-4-8-12-22)16-29-28(34)27-24-17-31(18-25(24)27)26(33)14-20-9-5-3-6-10-20/h3-12,15,19,24-25,27H,13-14,16-18H2,1-2H3,(H,29,34)/t24-,25+,27?
InChIKeyHHBXZUNQLWOTOK-YHQISMHQSA-N
MW456.59 g/mol
LogP3.63
Rot. Bonds8

About (1S,5R)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-(2-phenylacetyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-(2-phenylacetyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 155813550) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is (1S,5R)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-(2-phenylacetyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-(2-phenylacetyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID155813550
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name(1S,5R)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-(2-phenylacetyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)Cc1cc(CNC(=O)C2[C@H]3CN(C(=O)Cc4ccccc4)C[C@@H]23)nn1-c1ccccc1
InChIInChI=1S/C28H32N4O2/c1-19(2)13-23-15-21(30-32(23)22-11-7-4-8-12-22)16-29-28(34)27-24-17-31(18-25(24)27)26(33)14-20-9-5-3-6-10-20/h3-12,15,19,24-25,27H,13-14,16-18H2,1-2H3,(H,29,34)/t24-,25+,27?
InChIKeyHHBXZUNQLWOTOK-YHQISMHQSA-N
XLogP3.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,5R)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-(2-phenylacetyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide 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

3-benzoyl-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86292938
N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-1-phenylmethanesulfonamide
CID 118512852
N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 45278687
2-[2-(furan-3-carbonyl)piperazin-1-yl]-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]acetamide
CID 68587564
2-[methyl-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]amino]-N-(2-phenylethyl)acetamide
CID 155815083
1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methylamino]ethanone
CID 45279532
2-[4-(3,5-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]acetamide
CID 71585875
2-(4-phenylpiperazin-1-yl)-N-[(1-phenyl-5-propylpyrazol-3-yl)methyl]acetamide
CID 45278849
(3R,4R)-N-benzyl-4-(2,5-dimethoxyphenyl)-1-(2-phenylacetyl)pyrrolidine-3-carboxamide
CID 97479093
(3S,4R)-N-(2-methylpropyl)-1-(2-phenylacetyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93149834
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride
CID 120659592
4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-(2-phenylacetyl)pyrrolidine-3-carboxamide
CID 42680269

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-(2-phenylacetyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-(2-phenylacetyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 155813550) is (1S,5R)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-(2-phenylacetyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-(2-phenylacetyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-(2-phenylacetyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)Cc1cc(CNC(=O)C2[C@H]3CN(C(=O)Cc4ccccc4)C[C@@H]23)nn1-c1ccccc1.
What is the InChIKey of (1S,5R)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-(2-phenylacetyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is HHBXZUNQLWOTOK-YHQISMHQSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-19(2)13-23-15-21(30-32(23)22-11-7-4-8-12-22)16-29-28(34)27-24-17-31(18-25(24)27)26(33)14-20-9-5-3-6-10-20/h3-12,15,19,24-25,27H,13-14,16-18H2,1-2H3,(H,29,34)/t24-,25+,27?.
What are the key properties of (1S,5R)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-(2-phenylacetyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-(2-phenylacetyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 456.59 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-(2-phenylacetyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 155813550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).