1-benzyl-5-chloro-N-(2-methoxy-5-methylphenyl)-3-methylpyrazole-4-carboxamide

C20H20ClN3O2 — CID 2090618

IUPAC1-benzyl-5-chloro-N-(2-methoxy-5-methylphenyl)-3-methylpyrazole-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1c(C)nn(Cc2ccccc2)c1Cl
InChIInChI=1S/C20H20ClN3O2/c1-13-9-10-17(26-3)16(11-13)22-20(25)18-14(2)23-24(19(18)21)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyMQQQPSSFXKVTHA-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.46
Rot. Bonds5

About 1-benzyl-5-chloro-N-(2-methoxy-5-methylphenyl)-3-methylpyrazole-4-carboxamide

1-benzyl-5-chloro-N-(2-methoxy-5-methylphenyl)-3-methylpyrazole-4-carboxamide (PubChem CID 2090618) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 1-benzyl-5-chloro-N-(2-methoxy-5-methylphenyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-chloro-N-(2-methoxy-5-methylphenyl)-3-methylpyrazole-4-carboxamide
PubChem CID2090618
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name1-benzyl-5-chloro-N-(2-methoxy-5-methylphenyl)-3-methylpyrazole-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1c(C)nn(Cc2ccccc2)c1Cl
InChIInChI=1S/C20H20ClN3O2/c1-13-9-10-17(26-3)16(11-13)22-20(25)18-14(2)23-24(19(18)21)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyMQQQPSSFXKVTHA-UHFFFAOYSA-N
XLogP4.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 679804
5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 4293116
5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 17558506
5-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2047123
1-benzyl-5-chloro-3-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 2118839
5-chloro-N-(3-chloro-4-methoxyphenyl)-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 2161257
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2243676
1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 2489518
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 8721994
5-chloro-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 16294986
5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
CID 24980313
1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 1235418

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-N-(2-methoxy-5-methylphenyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-chloro-N-(2-methoxy-5-methylphenyl)-3-methylpyrazole-4-carboxamide (CID 2090618) is 1-benzyl-5-chloro-N-(2-methoxy-5-methylphenyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-chloro-N-(2-methoxy-5-methylphenyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-chloro-N-(2-methoxy-5-methylphenyl)-3-methylpyrazole-4-carboxamide is COc1ccc(C)cc1NC(=O)c1c(C)nn(Cc2ccccc2)c1Cl.
What is the InChIKey of 1-benzyl-5-chloro-N-(2-methoxy-5-methylphenyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is MQQQPSSFXKVTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-13-9-10-17(26-3)16(11-13)22-20(25)18-14(2)23-24(19(18)21)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,22,25).
What are the key properties of 1-benzyl-5-chloro-N-(2-methoxy-5-methylphenyl)-3-methylpyrazole-4-carboxamide?
1-benzyl-5-chloro-N-(2-methoxy-5-methylphenyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-N-(2-methoxy-5-methylphenyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 2090618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).