1-(2-methoxy-5-methylphenyl)-N-(2-phenylcyclopropyl)pyrazole-3-carboxamide

C21H21N3O2 — CID 48663196

IUPAC1-(2-methoxy-5-methylphenyl)-N-(2-phenylcyclopropyl)pyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)NC2CC2c2ccccc2)n1
InChIInChI=1S/C21H21N3O2/c1-14-8-9-20(26-2)19(12-14)24-11-10-17(23-24)21(25)22-18-13-16(18)15-6-4-3-5-7-15/h3-12,16,18H,13H2,1-2H3,(H,22,25)
InChIKeyMURFYGQLVFLQMN-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.48
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-N-(2-phenylcyclopropyl)pyrazole-3-carboxamide

1-(2-methoxy-5-methylphenyl)-N-(2-phenylcyclopropyl)pyrazole-3-carboxamide (PubChem CID 48663196) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-(2-phenylcyclopropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-(2-phenylcyclopropyl)pyrazole-3-carboxamide
PubChem CID48663196
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-(2-phenylcyclopropyl)pyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)NC2CC2c2ccccc2)n1
InChIInChI=1S/C21H21N3O2/c1-14-8-9-20(26-2)19(12-14)24-11-10-17(23-24)21(25)22-18-13-16(18)15-6-4-3-5-7-15/h3-12,16,18H,13H2,1-2H3,(H,22,25)
InChIKeyMURFYGQLVFLQMN-UHFFFAOYSA-N
XLogP3.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 119475309
1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide
CID 48652307
1-(2-methoxy-5-methylphenyl)-N-(2-methylphenyl)sulfonylpyrazole-3-carboxamide
CID 48647201
1-(2-methoxy-5-methylphenyl)-N-(1-phenylpyrazol-4-yl)pyrazole-3-carboxamide
CID 71936851
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 120948333
1-(2-methoxy-5-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)pyrazole-3-carboxamide
CID 119041491
1-(2-methoxy-5-methylphenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide
CID 119430412
N-[(1-hydroxycyclobutyl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 111445526
2-[[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]-methylamino]propanoic acid
CID 119209514
2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 119195396
1-(2-methoxy-5-methylphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide
CID 86848010
N-[3-(difluoromethoxy)phenyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 48659408

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-(2-phenylcyclopropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-(2-phenylcyclopropyl)pyrazole-3-carboxamide (CID 48663196) is 1-(2-methoxy-5-methylphenyl)-N-(2-phenylcyclopropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-(2-phenylcyclopropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-(2-phenylcyclopropyl)pyrazole-3-carboxamide is COc1ccc(C)cc1-n1ccc(C(=O)NC2CC2c2ccccc2)n1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-(2-phenylcyclopropyl)pyrazole-3-carboxamide?
The InChIKey is MURFYGQLVFLQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-8-9-20(26-2)19(12-14)24-11-10-17(23-24)21(25)22-18-13-16(18)15-6-4-3-5-7-15/h3-12,16,18H,13H2,1-2H3,(H,22,25).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-(2-phenylcyclopropyl)pyrazole-3-carboxamide?
1-(2-methoxy-5-methylphenyl)-N-(2-phenylcyclopropyl)pyrazole-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-(2-phenylcyclopropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 48663196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).