N-[2-(4-chlorophenyl)ethyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

C21H23ClN4O — CID 70704444

IUPACN-[2-(4-chlorophenyl)ethyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)N(CCc2ccc(Cl)cc2)Cc2cccnc2)cn1
InChIInChI=1S/C21H23ClN4O/c1-16(2)26-15-19(13-24-26)21(27)25(14-18-4-3-10-23-12-18)11-9-17-5-7-20(22)8-6-17/h3-8,10,12-13,15-16H,9,11,14H2,1-2H3
InChIKeyOKAIBOTUKHVPMD-UHFFFAOYSA-N
MW382.90 g/mol
LogP4.40
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 70704444) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID70704444
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)N(CCc2ccc(Cl)cc2)Cc2cccnc2)cn1
InChIInChI=1S/C21H23ClN4O/c1-16(2)26-15-19(13-24-26)21(27)25(14-18-4-3-10-23-12-18)11-9-17-5-7-20(22)8-6-17/h3-8,10,12-13,15-16H,9,11,14H2,1-2H3
InChIKeyOKAIBOTUKHVPMD-UHFFFAOYSA-N
XLogP4.40
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 56789484
N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 25376126
N-[(4-chlorophenyl)methyl]-N-pentyl-3-pyridin-3-ylpropanamide
CID 78807864
N-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853797
N-butyl-2-(4-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 131929356
N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 86908026
N-[2-(2-fluorophenyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110426924
1-[(4-chlorophenyl)methyl]-3-(4-heptylphenyl)-1-(pyridin-3-ylmethyl)urea
CID 2726719
1-[(4-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)thiourea
CID 2726728
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236
N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 120885554
N-[2-(dimethylamino)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 74240783

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (CID 70704444) is N-[2-(4-chlorophenyl)ethyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is CC(C)n1cc(C(=O)N(CCc2ccc(Cl)cc2)Cc2cccnc2)cn1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is OKAIBOTUKHVPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c1-16(2)26-15-19(13-24-26)21(27)25(14-18-4-3-10-23-12-18)11-9-17-5-7-20(22)8-6-17/h3-8,10,12-13,15-16H,9,11,14H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 382.90 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 70704444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).