4-chloro-5-cyclopropyl-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-3-carboxamide

C15H16ClN3O2 — CID 71855633

IUPAC4-chloro-5-cyclopropyl-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1n[nH]c(C2CC2)c1Cl
InChIInChI=1S/C15H16ClN3O2/c1-8-3-6-11(21-2)10(7-8)17-15(20)14-12(16)13(18-19-14)9-4-5-9/h3,6-7,9H,4-5H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyJYNAXXYMPBKTFN-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.51
Rot. Bonds4

About 4-chloro-5-cyclopropyl-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-3-carboxamide

4-chloro-5-cyclopropyl-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-3-carboxamide (PubChem CID 71855633) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 4-chloro-5-cyclopropyl-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-cyclopropyl-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
PubChem CID71855633
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name4-chloro-5-cyclopropyl-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1n[nH]c(C2CC2)c1Cl
InChIInChI=1S/C15H16ClN3O2/c1-8-3-6-11(21-2)10(7-8)17-15(20)14-12(16)13(18-19-14)9-4-5-9/h3,6-7,9H,4-5H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyJYNAXXYMPBKTFN-UHFFFAOYSA-N
XLogP3.51
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077592
4-amino-N-(2-chloro-4-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077618
3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19509351
3-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19514461
3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513234
5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 103817028
2,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 965623
4-amino-3,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 82812467
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 26069017
N-(2-methoxy-5-methylphenyl)-2,4,6-trimethylbenzamide
CID 19174112
6-N-cyclohexyl-2-N-(2-methoxy-5-methylphenyl)pyridine-2,6-dicarboxamide
CID 109095367
N-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110694390

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-cyclopropyl-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-5-cyclopropyl-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-3-carboxamide (CID 71855633) is 4-chloro-5-cyclopropyl-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-5-cyclopropyl-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-5-cyclopropyl-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-3-carboxamide is COc1ccc(C)cc1NC(=O)c1n[nH]c(C2CC2)c1Cl.
What is the InChIKey of 4-chloro-5-cyclopropyl-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is JYNAXXYMPBKTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-8-3-6-11(21-2)10(7-8)17-15(20)14-12(16)13(18-19-14)9-4-5-9/h3,6-7,9H,4-5H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 4-chloro-5-cyclopropyl-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-3-carboxamide?
4-chloro-5-cyclopropyl-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 305.76 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-cyclopropyl-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71855633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).