N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide

C22H22N4O2 — CID 155519614

IUPACN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1cc(C(=O)NCc2ccc(C(=O)NC3CC3)cc2)cn1
InChIInChI=1S/C22H22N4O2/c1-15-4-2-3-5-20(15)26-14-18(13-24-26)21(27)23-12-16-6-8-17(9-7-16)22(28)25-19-10-11-19/h2-9,13-14,19H,10-12H2,1H3,(H,23,27)(H,25,28)
InChIKeyZWTVTWYFXGIJFS-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.00
Rot. Bonds6

About N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide

N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 155519614) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
PubChem CID155519614
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1cc(C(=O)NCc2ccc(C(=O)NC3CC3)cc2)cn1
InChIInChI=1S/C22H22N4O2/c1-15-4-2-3-5-20(15)26-14-18(13-24-26)21(27)23-12-16-6-8-17(9-7-16)22(28)25-19-10-11-19/h2-9,13-14,19H,10-12H2,1H3,(H,23,27)(H,25,28)
InChIKeyZWTVTWYFXGIJFS-UHFFFAOYSA-N
XLogP3.00
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[5-[[(2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]carbamoyl]-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
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5-amino-N-((4-(((2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl)carbamoyl)phenyl)methyl)-1-phenylpyrazole-4-carboxamide
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5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
CID 145994397

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide (CID 155519614) is N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide is Cc1ccccc1-n1cc(C(=O)NCc2ccc(C(=O)NC3CC3)cc2)cn1.
What is the InChIKey of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is ZWTVTWYFXGIJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-4-2-3-5-20(15)26-14-18(13-24-26)21(27)23-12-16-6-8-17(9-7-16)22(28)25-19-10-11-19/h2-9,13-14,19H,10-12H2,1H3,(H,23,27)(H,25,28).
What are the key properties of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide?
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 155519614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).