3-cyclopropyl-N-[1-(2-methylphenyl)ethyl]-1-phenylpyrazole-5-carboxamide

C22H23N3O — CID 42916203

IUPAC3-cyclopropyl-N-[1-(2-methylphenyl)ethyl]-1-phenylpyrazole-5-carboxamide
SMILESCc1ccccc1C(C)NC(=O)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C22H23N3O/c1-15-8-6-7-11-19(15)16(2)23-22(26)21-14-20(17-12-13-17)24-25(21)18-9-4-3-5-10-18/h3-11,14,16-17H,12-13H2,1-2H3,(H,23,26)
InChIKeyPWDGJNCFBKUQQD-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.55
Rot. Bonds5

About 3-cyclopropyl-N-[1-(2-methylphenyl)ethyl]-1-phenylpyrazole-5-carboxamide

3-cyclopropyl-N-[1-(2-methylphenyl)ethyl]-1-phenylpyrazole-5-carboxamide (PubChem CID 42916203) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-cyclopropyl-N-[1-(2-methylphenyl)ethyl]-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[1-(2-methylphenyl)ethyl]-1-phenylpyrazole-5-carboxamide
PubChem CID42916203
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name3-cyclopropyl-N-[1-(2-methylphenyl)ethyl]-1-phenylpyrazole-5-carboxamide
SMILESCc1ccccc1C(C)NC(=O)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C22H23N3O/c1-15-8-6-7-11-19(15)16(2)23-22(26)21-14-20(17-12-13-17)24-25(21)18-9-4-3-5-10-18/h3-11,14,16-17H,12-13H2,1-2H3,(H,23,26)
InChIKeyPWDGJNCFBKUQQD-UHFFFAOYSA-N
XLogP4.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide
CID 41078982
3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 18161045
3-cyclopropyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-5-carboxamide
CID 18270656
N-hydroxy-1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
CID 86292051
N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 27555772
N-[1-(2-methylphenyl)ethyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42929738
3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
CID 18169018
3-cyclopropyl-N-(4-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 9462634
3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9292766
3-cyclopropyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 43024528
N-(2-bromo-4-methylphenyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
CID 30843040
3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404708

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[1-(2-methylphenyl)ethyl]-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[1-(2-methylphenyl)ethyl]-1-phenylpyrazole-5-carboxamide (CID 42916203) is 3-cyclopropyl-N-[1-(2-methylphenyl)ethyl]-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[1-(2-methylphenyl)ethyl]-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[1-(2-methylphenyl)ethyl]-1-phenylpyrazole-5-carboxamide is Cc1ccccc1C(C)NC(=O)c1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of 3-cyclopropyl-N-[1-(2-methylphenyl)ethyl]-1-phenylpyrazole-5-carboxamide?
The InChIKey is PWDGJNCFBKUQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15-8-6-7-11-19(15)16(2)23-22(26)21-14-20(17-12-13-17)24-25(21)18-9-4-3-5-10-18/h3-11,14,16-17H,12-13H2,1-2H3,(H,23,26).
What are the key properties of 3-cyclopropyl-N-[1-(2-methylphenyl)ethyl]-1-phenylpyrazole-5-carboxamide?
3-cyclopropyl-N-[1-(2-methylphenyl)ethyl]-1-phenylpyrazole-5-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[1-(2-methylphenyl)ethyl]-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 42916203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).