5-(2-methylpropyl)-N-(2-piperidin-1-ylphenyl)-1H-pyrazole-3-carboxamide

C19H26N4O — CID 55787212

IUPAC5-(2-methylpropyl)-N-(2-piperidin-1-ylphenyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)Nc2ccccc2N2CCCCC2)n[nH]1
InChIInChI=1S/C19H26N4O/c1-14(2)12-15-13-17(22-21-15)19(24)20-16-8-4-5-9-18(16)23-10-6-3-7-11-23/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyQBWOTINUVQKNKT-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.85
Rot. Bonds5

About 5-(2-methylpropyl)-N-(2-piperidin-1-ylphenyl)-1H-pyrazole-3-carboxamide

5-(2-methylpropyl)-N-(2-piperidin-1-ylphenyl)-1H-pyrazole-3-carboxamide (PubChem CID 55787212) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-(2-piperidin-1-ylphenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-(2-piperidin-1-ylphenyl)-1H-pyrazole-3-carboxamide
PubChem CID55787212
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name5-(2-methylpropyl)-N-(2-piperidin-1-ylphenyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)Nc2ccccc2N2CCCCC2)n[nH]1
InChIInChI=1S/C19H26N4O/c1-14(2)12-15-13-17(22-21-15)19(24)20-16-8-4-5-9-18(16)23-10-6-3-7-11-23/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyQBWOTINUVQKNKT-UHFFFAOYSA-N
XLogP3.85
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741814
2-methoxy-N-(2-piperidin-1-ylphenyl)propanamide
CID 47300267
N'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide
CID 78879143
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55663124
5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684789
N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 62046501
3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960458
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
4,5-dimethyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 37172802
4-butan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 3584037
N-(5-chloro-2-ethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55982116

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-(2-piperidin-1-ylphenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(2-methylpropyl)-N-(2-piperidin-1-ylphenyl)-1H-pyrazole-3-carboxamide (CID 55787212) is 5-(2-methylpropyl)-N-(2-piperidin-1-ylphenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-methylpropyl)-N-(2-piperidin-1-ylphenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(2-methylpropyl)-N-(2-piperidin-1-ylphenyl)-1H-pyrazole-3-carboxamide is CC(C)Cc1cc(C(=O)Nc2ccccc2N2CCCCC2)n[nH]1.
What is the InChIKey of 5-(2-methylpropyl)-N-(2-piperidin-1-ylphenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is QBWOTINUVQKNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14(2)12-15-13-17(22-21-15)19(24)20-16-8-4-5-9-18(16)23-10-6-3-7-11-23/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of 5-(2-methylpropyl)-N-(2-piperidin-1-ylphenyl)-1H-pyrazole-3-carboxamide?
5-(2-methylpropyl)-N-(2-piperidin-1-ylphenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-(2-piperidin-1-ylphenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55787212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).