N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

C26H27N5O2 — CID 31366325

IUPACN-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCOc1ccccc1[C@@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)N(C)C
InChIInChI=1S/C26H27N5O2/c1-30(2)23(21-13-7-8-14-24(21)33-3)17-28-26(32)22-18-31(20-11-5-4-6-12-20)29-25(22)19-10-9-15-27-16-19/h4-16,18,23H,17H2,1-3H3,(H,28,32)/t23-/m1/s1
InChIKeyTYSNKIQZXJKDOE-HSZRJFAPSA-N
MW441.54 g/mol
LogP3.98
Rot. Bonds8

About N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 31366325) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID31366325
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCOc1ccccc1[C@@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)N(C)C
InChIInChI=1S/C26H27N5O2/c1-30(2)23(21-13-7-8-14-24(21)33-3)17-28-26(32)22-18-31(20-11-5-4-6-12-20)29-25(22)19-10-9-15-27-16-19/h4-16,18,23H,17H2,1-3H3,(H,28,32)/t23-/m1/s1
InChIKeyTYSNKIQZXJKDOE-HSZRJFAPSA-N
XLogP3.98
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-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

N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 40815392
N-[2-(dimethylamino)-2-oxoethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9480578
N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27556068
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 2475115
methyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate
CID 2381703
N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9300157
N-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide
CID 24650106
N-methyl-1-phenyl-3-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 17392908
N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 1087057
N-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 24612015
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 43017542
1-phenyl-N-(2-phenylsulfanylethyl)-3-pyridin-3-ylpyrazole-4-carboxamide
CID 26444481

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 31366325) is N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is COc1ccccc1[C@@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)N(C)C.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is TYSNKIQZXJKDOE-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-30(2)23(21-13-7-8-14-24(21)33-3)17-28-26(32)22-18-31(20-11-5-4-6-12-20)29-25(22)19-10-9-15-27-16-19/h4-16,18,23H,17H2,1-3H3,(H,28,32)/t23-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 31366325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).