5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

C22H24ClN3O2 — CID 78771733

IUPAC5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl
InChIInChI=1S/C22H24ClN3O2/c1-14-9-11-17(12-10-14)13-26-21(23)20(16(3)25-26)22(27)24-15(2)18-7-5-6-8-19(18)28-4/h5-12,15H,13H2,1-4H3,(H,24,27)
InChIKeyRPVAYHAFZWOCRQ-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.70
Rot. Bonds6

About 5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 78771733) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
PubChem CID78771733
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl
InChIInChI=1S/C22H24ClN3O2/c1-14-9-11-17(12-10-14)13-26-21(23)20(16(3)25-26)22(27)24-15(2)18-7-5-6-8-19(18)28-4/h5-12,15H,13H2,1-4H3,(H,24,27)
InChIKeyRPVAYHAFZWOCRQ-UHFFFAOYSA-N
XLogP4.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 78878424
5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 78771628
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 26445004
1-benzyl-5-chloro-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]pyrazole-4-carboxamide
CID 31109395
5-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 46451354
1-benzyl-5-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylpyrazole-4-carboxamide
CID 43006258
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[2-(2-methylpropanoylamino)ethyl]pyrazole-4-carboxamide
CID 31365143
N-(2-anilino-2-oxo-1-phenylethyl)-5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 55726532
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazole-4-carboxamide
CID 16574173
5-chloro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 46551079
5-chloro-N-(3-hydroxybutyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 111429075
5-chloro-1-[(4-fluorophenyl)methyl]-N-[(4-fluorophenyl)-phenylmethyl]-3-methylpyrazole-4-carboxamide
CID 55594299

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide (CID 78771733) is 5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide is COc1ccccc1C(C)NC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl.
What is the InChIKey of 5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is RPVAYHAFZWOCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-14-9-11-17(12-10-14)13-26-21(23)20(16(3)25-26)22(27)24-15(2)18-7-5-6-8-19(18)28-4/h5-12,15H,13H2,1-4H3,(H,24,27).
What are the key properties of 5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 397.91 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 78771733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).