N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide

C20H27ClN4O — CID 97454957

IUPACN-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1cn[nH]c1C1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C20H27ClN4O/c1-25(2)18(15-10-6-7-11-17(15)21)13-22-20(26)16-12-23-24-19(16)14-8-4-3-5-9-14/h6-7,10-12,14,18H,3-5,8-9,13H2,1-2H3,(H,22,26)(H,23,24)/t18-/m1/s1
InChIKeySYETXSFZTIKMRD-GOSISDBHSA-N
MW374.92 g/mol
LogP4.14
Rot. Bonds6

About N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide

N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide (PubChem CID 97454957) has the molecular formula C20H27ClN4O and a molecular weight of 374.92 g/mol. Its IUPAC name is N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide
PubChem CID97454957
Molecular FormulaC20H27ClN4O
Molecular Weight374.92 g/mol
Exact Mass374.19
IUPAC NameN-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1cn[nH]c1C1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C20H27ClN4O/c1-25(2)18(15-10-6-7-11-17(15)21)13-22-20(26)16-12-23-24-19(16)14-8-4-3-5-9-14/h6-7,10-12,14,18H,3-5,8-9,13H2,1-2H3,(H,22,26)(H,23,24)/t18-/m1/s1
InChIKeySYETXSFZTIKMRD-GOSISDBHSA-N
XLogP4.14
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclohexyl-1H-pyrazole-4-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

5-cyclohexyl-N-[(2R)-2-hydroxy-3-phenoxypropyl]-1H-pyrazole-4-carboxamide
CID 97155422
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 43056764
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-hydroxybenzamide
CID 51866833
2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 8916135
N-(2-anilino-3-methylbutyl)-5-cyclopropyl-1H-pyrazole-4-carboxamide
CID 167819842
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide
CID 30478238
5-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)propyl]-1H-pyrazole-4-carboxamide
CID 86798225
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 167869393
4-bromo-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564381
N-[1-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 43047848
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide
CID 43044703
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-cyclopentylsulfonylpropanamide
CID 71895035

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide (CID 97454957) is N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide is CN(C)[C@H](CNC(=O)c1cn[nH]c1C1CCCCC1)c1ccccc1Cl.
What is the InChIKey of N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide?
The InChIKey is SYETXSFZTIKMRD-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27ClN4O/c1-25(2)18(15-10-6-7-11-17(15)21)13-22-20(26)16-12-23-24-19(16)14-8-4-3-5-9-14/h6-7,10-12,14,18H,3-5,8-9,13H2,1-2H3,(H,22,26)(H,23,24)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide?
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide has a molecular weight of 374.92 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 97454957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).