3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide

C9H15N3O — CID 43582292

IUPAC3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
SMILESCCCNC(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C9H15N3O/c1-4-5-10-9(13)8-6(2)11-12-7(8)3/h4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyZZZUCSBOMYCCGV-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.17
Rot. Bonds3

About 3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide (PubChem CID 43582292) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
PubChem CID43582292
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
SMILESCCCNC(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C9H15N3O/c1-4-5-10-9(13)8-6(2)11-12-7(8)3/h4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyZZZUCSBOMYCCGV-UHFFFAOYSA-N
XLogP1.17
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 62691865
N-[2-[butan-2-yl(methyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113232975
N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113283180
N-[2-(2-hydroxypropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 104593791
methyl 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexanoate
CID 43623233
N-[(1-ethylcyclopentyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113257957
N-[3-[ethyl(methylsulfonyl)amino]propyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61013814
N-(2,2-diethoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 79547804
N-[(1-ethylcyclobutyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113252802
3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide
CID 43582644
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62675345
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427297

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide (CID 43582292) is 3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide is CCCNC(=O)c1c(C)n[nH]c1C.
What is the InChIKey of 3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide?
The InChIKey is ZZZUCSBOMYCCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-5-10-9(13)8-6(2)11-12-7(8)3/h4-5H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of 3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).