5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide

C22H24N4O — CID 41420930

IUPAC5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(N3CCCCC3)cc2)cnn1-c1ccccc1
InChIInChI=1S/C22H24N4O/c1-17-21(16-23-26(17)20-8-4-2-5-9-20)22(27)24-18-10-12-19(13-11-18)25-14-6-3-7-15-25/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,24,27)
InChIKeyOGZRCUPHTAOROO-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.42
Rot. Bonds4

About 5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide

5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide (PubChem CID 41420930) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide
PubChem CID41420930
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(N3CCCCC3)cc2)cnn1-c1ccccc1
InChIInChI=1S/C22H24N4O/c1-17-21(16-23-26(17)20-8-4-2-5-9-20)22(27)24-18-10-12-19(13-11-18)25-14-6-3-7-15-25/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,24,27)
InChIKeyOGZRCUPHTAOROO-UHFFFAOYSA-N
XLogP4.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
N-[4-(azepan-1-yl)phenyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 55510180
N-[4-(azepan-1-yl)phenyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55465714
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108743569
5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 17464539
2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid
CID 108804246
5-methyl-1-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-4-carboxamide
CID 75495888
5-bromo-1-phenyl-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
CID 75453052
N-[4-(4-methylpiperidin-1-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18229003
5-acetamido-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide
CID 51999445
5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide
CID 17434880
N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791901

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide (CID 41420930) is 5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(N3CCCCC3)cc2)cnn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide?
The InChIKey is OGZRCUPHTAOROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17-21(16-23-26(17)20-8-4-2-5-9-20)22(27)24-18-10-12-19(13-11-18)25-14-6-3-7-15-25/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,24,27).
What are the key properties of 5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide?
5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 41420930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).