5-(2-methylpropyl)-N-[3-(2-methylpropylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide

C19H26N4O2 — CID 131931699

IUPAC5-(2-methylpropyl)-N-[3-(2-methylpropylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)c2cc(CC(C)C)[nH]n2)c1
InChIInChI=1S/C19H26N4O2/c1-12(2)8-16-10-17(23-22-16)19(25)21-15-7-5-6-14(9-15)18(24)20-11-13(3)4/h5-7,9-10,12-13H,8,11H2,1-4H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyYIHMOCPIKPYTEK-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.25
Rot. Bonds7

About 5-(2-methylpropyl)-N-[3-(2-methylpropylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide

5-(2-methylpropyl)-N-[3-(2-methylpropylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide (PubChem CID 131931699) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-[3-(2-methylpropylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-[3-(2-methylpropylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
PubChem CID131931699
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name5-(2-methylpropyl)-N-[3-(2-methylpropylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)c2cc(CC(C)C)[nH]n2)c1
InChIInChI=1S/C19H26N4O2/c1-12(2)8-16-10-17(23-22-16)19(25)21-15-7-5-6-14(9-15)18(24)20-11-13(3)4/h5-7,9-10,12-13H,8,11H2,1-4H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyYIHMOCPIKPYTEK-UHFFFAOYSA-N
XLogP3.25
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741020
N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741644
3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051379
2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079716
N-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55910471
2-N-(3-acetamidophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079698
N-[3-(2-methylpropylcarbamoyl)phenyl]pyridazine-4-carboxamide
CID 131898619
methyl 3-[[6-(2-methylpropylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109094522
N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741814
N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55738892
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 131939383
N-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide
CID 17057983

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-[3-(2-methylpropylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(2-methylpropyl)-N-[3-(2-methylpropylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide (CID 131931699) is 5-(2-methylpropyl)-N-[3-(2-methylpropylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-methylpropyl)-N-[3-(2-methylpropylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(2-methylpropyl)-N-[3-(2-methylpropylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide is CC(C)CNC(=O)c1cccc(NC(=O)c2cc(CC(C)C)[nH]n2)c1.
What is the InChIKey of 5-(2-methylpropyl)-N-[3-(2-methylpropylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide?
The InChIKey is YIHMOCPIKPYTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12(2)8-16-10-17(23-22-16)19(25)21-15-7-5-6-14(9-15)18(24)20-11-13(3)4/h5-7,9-10,12-13H,8,11H2,1-4H3,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of 5-(2-methylpropyl)-N-[3-(2-methylpropylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide?
5-(2-methylpropyl)-N-[3-(2-methylpropylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-[3-(2-methylpropylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 131931699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).