N-(4-acetylphenyl)-4-amino-5-propan-2-yl-1H-pyrazole-3-carboxamide

C15H18N4O2 — CID 62077234

IUPACN-(4-acetylphenyl)-4-amino-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2n[nH]c(C(C)C)c2N)cc1
InChIInChI=1S/C15H18N4O2/c1-8(2)13-12(16)14(19-18-13)15(21)17-11-6-4-10(5-7-11)9(3)20/h4-8H,16H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyOHSVVXJRMQOXTE-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.57
Rot. Bonds4

About N-(4-acetylphenyl)-4-amino-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-(4-acetylphenyl)-4-amino-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 62077234) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-amino-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-amino-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID62077234
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-(4-acetylphenyl)-4-amino-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2n[nH]c(C(C)C)c2N)cc1
InChIInChI=1S/C15H18N4O2/c1-8(2)13-12(16)14(19-18-13)15(21)17-11-6-4-10(5-7-11)9(3)20/h4-8H,16H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyOHSVVXJRMQOXTE-UHFFFAOYSA-N
XLogP2.57
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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4-amino-N-(2-bromo-3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
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N-(4-acetylphenyl)-4-bromo-5-nitro-1H-pyrazole-3-carboxamide
CID 135437412
4-amino-N-(1-phenylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-amino-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-amino-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 62077234) is N-(4-acetylphenyl)-4-amino-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-amino-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-amino-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(=O)c1ccc(NC(=O)c2n[nH]c(C(C)C)c2N)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-amino-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is OHSVVXJRMQOXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-8(2)13-12(16)14(19-18-13)15(21)17-11-6-4-10(5-7-11)9(3)20/h4-8H,16H2,1-3H3,(H,17,21)(H,18,19).
What are the key properties of N-(4-acetylphenyl)-4-amino-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-(4-acetylphenyl)-4-amino-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-amino-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62077234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).