3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide

C21H21N3O — CID 9292766

IUPAC3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1
InChIInChI=1S/C21H21N3O/c1-15-7-9-16(10-8-15)14-22-21(25)20-13-19(17-11-12-17)23-24(20)18-5-3-2-4-6-18/h2-10,13,17H,11-12,14H2,1H3,(H,22,25)
InChIKeyXNLSEOLIMOVAMT-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.99
Rot. Bonds5

About 3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide

3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide (PubChem CID 9292766) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide
PubChem CID9292766
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1
InChIInChI=1S/C21H21N3O/c1-15-7-9-16(10-8-15)14-22-21(25)20-13-19(17-11-12-17)23-24(20)18-5-3-2-4-6-18/h2-10,13,17H,11-12,14H2,1H3,(H,22,25)
InChIKeyXNLSEOLIMOVAMT-UHFFFAOYSA-N
XLogP3.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404997
3-cyclopropyl-1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 18132423
3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404708
3-cyclopropyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 9398113
3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide
CID 9291418
N-(2-bromo-4-methylphenyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
CID 30843040
3-cyclopropyl-1-phenyl-N-(3-phenylmethoxypropyl)pyrazole-5-carboxamide
CID 41365797
3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
CID 18169018
3-cyclopropyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-phenylpyrazole-5-carboxamide
CID 17453949
3-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylpyrazole-5-carboxamide
CID 71709246
N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 27555772
3-cyclopropyl-N-(4-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 9462634

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide (CID 9292766) is 3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide is Cc1ccc(CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1.
What is the InChIKey of 3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide?
The InChIKey is XNLSEOLIMOVAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-7-9-16(10-8-15)14-22-21(25)20-13-19(17-11-12-17)23-24(20)18-5-3-2-4-6-18/h2-10,13,17H,11-12,14H2,1H3,(H,22,25).
What are the key properties of 3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide?
3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 9292766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).