N-naphthalen-1-yl-5-propyl-1H-pyrazole-3-carboxamide

C17H17N3O — CID 25353565

IUPACN-naphthalen-1-yl-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2cccc3ccccc23)n[nH]1
InChIInChI=1S/C17H17N3O/c1-2-6-13-11-16(20-19-13)17(21)18-15-10-5-8-12-7-3-4-9-14(12)15/h3-5,7-11H,2,6H2,1H3,(H,18,21)(H,19,20)
InChIKeyJBBMCXWCWFEWED-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.77
Rot. Bonds4

About N-naphthalen-1-yl-5-propyl-1H-pyrazole-3-carboxamide

N-naphthalen-1-yl-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 25353565) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-naphthalen-1-yl-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID25353565
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-naphthalen-1-yl-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2cccc3ccccc23)n[nH]1
InChIInChI=1S/C17H17N3O/c1-2-6-13-11-16(20-19-13)17(21)18-15-10-5-8-12-7-3-4-9-14(12)15/h3-5,7-11H,2,6H2,1H3,(H,18,21)(H,19,20)
InChIKeyJBBMCXWCWFEWED-UHFFFAOYSA-N
XLogP3.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenoxyphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 37140229
ethyl N-[2-methyl-3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]carbamate
CID 86822321
N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 36709127
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'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide
CID 24671907
N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55554809
N-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55555026
1-(5-methyl-1H-pyrazol-3-yl)-3-naphthalen-1-ylurea
CID 3699828
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55663124
N-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97118692
N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97128347

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-naphthalen-1-yl-5-propyl-1H-pyrazole-3-carboxamide (CID 25353565) is N-naphthalen-1-yl-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)Nc2cccc3ccccc23)n[nH]1.
What is the InChIKey of N-naphthalen-1-yl-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is JBBMCXWCWFEWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-6-13-11-16(20-19-13)17(21)18-15-10-5-8-12-7-3-4-9-14(12)15/h3-5,7-11H,2,6H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-naphthalen-1-yl-5-propyl-1H-pyrazole-3-carboxamide?
N-naphthalen-1-yl-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 25353565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).