N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide

C15H18N4O2 — CID 36709127

IUPACN-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2cccc(NC(C)=O)c2)n[nH]1
InChIInChI=1S/C15H18N4O2/c1-3-5-13-9-14(19-18-13)15(21)17-12-7-4-6-11(8-12)16-10(2)20/h4,6-9H,3,5H2,1-2H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyVFABJJJOYNFJPM-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.57
Rot. Bonds5

About N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide

N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 36709127) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID36709127
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2cccc(NC(C)=O)c2)n[nH]1
InChIInChI=1S/C15H18N4O2/c1-3-5-13-9-14(19-18-13)15(21)17-12-7-4-6-11(8-12)16-10(2)20/h4,6-9H,3,5H2,1-2H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyVFABJJJOYNFJPM-UHFFFAOYSA-N
XLogP2.57
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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 ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47292628
N-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55555026
N-[3-(morpholine-4-carbonyl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 46964376
N-naphthalen-1-yl-5-propyl-1H-pyrazole-3-carboxamide
CID 25353565
N'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide
CID 24671907
ethyl N-[2-methyl-3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]carbamate
CID 86822321
N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55554809
trans-(1R,2R)-2-[4-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid
CID 138038240
N-(4-iodo-2-methylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55554654
N-(1H-benzimidazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 60551015
N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 86821073
1-(3-chlorophenyl)-3-(5-propyl-1H-pyrazol-3-yl)urea
CID 104620440

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide (CID 36709127) is N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)Nc2cccc(NC(C)=O)c2)n[nH]1.
What is the InChIKey of N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is VFABJJJOYNFJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-5-13-9-14(19-18-13)15(21)17-12-7-4-6-11(8-12)16-10(2)20/h4,6-9H,3,5H2,1-2H3,(H,16,20)(H,17,21)(H,18,19).
What are the key properties of N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide?
N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 36709127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).