N-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide

C15H19N3O — CID 55555026

IUPACN-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(C)c(C)c2)n[nH]1
InChIInChI=1S/C15H19N3O/c1-4-5-13-9-14(18-17-13)15(19)16-12-7-6-10(2)11(3)8-12/h6-9H,4-5H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyYEHSPBRDIUAXNY-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.23
Rot. Bonds4

About N-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide

N-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 55555026) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID55555026
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(C)c(C)c2)n[nH]1
InChIInChI=1S/C15H19N3O/c1-4-5-13-9-14(18-17-13)15(19)16-12-7-6-10(2)11(3)8-12/h6-9H,4-5H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyYEHSPBRDIUAXNY-UHFFFAOYSA-N
XLogP3.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20865072
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-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide
CID 47334767
trans-(1R,2R)-2-[4-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid
CID 138038240
N-pentyl-5-propyl-1H-pyrazole-3-carboxamide
CID 36701505
N-naphthalen-1-yl-5-propyl-1H-pyrazole-3-carboxamide
CID 25353565
3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 115596365
5-ethyl-N-[4-(ethylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 78901950
N'-(2-chlorobenzoyl)-5-propyl-1H-pyrazole-3-carbohydrazide
CID 24671907
N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 86821073
ethyl N-[2-methyl-3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]phenyl]carbamate
CID 86822321

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide (CID 55555026) is N-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)Nc2ccc(C)c(C)c2)n[nH]1.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is YEHSPBRDIUAXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-5-13-9-14(18-17-13)15(19)16-12-7-6-10(2)11(3)8-12/h6-9H,4-5H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide?
N-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55555026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).