5-(2-methylpropyl)-1-propylpyrazole-3-carboxamide

C11H19N3O — CID 66958846

IUPAC5-(2-methylpropyl)-1-propylpyrazole-3-carboxamide
SMILESCCCn1nc(C(N)=O)cc1CC(C)C
InChIInChI=1S/C11H19N3O/c1-4-5-14-9(6-8(2)3)7-10(13-14)11(12)15/h7-8H,4-6H2,1-3H3,(H2,12,15)
InChIKeyIXXGUNSGDFJSML-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.59
Rot. Bonds5

About 5-(2-methylpropyl)-1-propylpyrazole-3-carboxamide

5-(2-methylpropyl)-1-propylpyrazole-3-carboxamide (PubChem CID 66958846) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1-propylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropyl)-1-propylpyrazole-3-carboxamide
PubChem CID66958846
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-(2-methylpropyl)-1-propylpyrazole-3-carboxamide
SMILESCCCn1nc(C(N)=O)cc1CC(C)C
InChIInChI=1S/C11H19N3O/c1-4-5-14-9(6-8(2)3)7-10(13-14)11(12)15/h7-8H,4-6H2,1-3H3,(H2,12,15)
InChIKeyIXXGUNSGDFJSML-UHFFFAOYSA-N
XLogP1.59
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1-propylpyrazole-3-carboxamide
CID 66958288
1-(3-methylbutyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 95453937
ethyl 5-(2-methylpropyl)-1-(2-pyridin-2-ylethyl)pyrazole-3-carboxylate
CID 167877073
1-(2-methylprop-2-enyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 82286953
ethyl 5-(2-methylpropyl)-1-(oxan-2-ylmethyl)pyrazole-3-carboxylate
CID 167774944
5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylic acid
CID 136574698
1-(2-methoxyethyl)-5-(oxan-4-ylmethyl)pyrazole-3-carboxamide
CID 67158103
1-[(5-chloro-2-methylphenyl)methyl]-5-methylpyrazole-3-carboxamide;2-methylbutane
CID 143316463
5-butyl-1-(oxolan-3-ylmethyl)pyrazole-3-carboxamide
CID 141473609
5-N,1-dimethyl-5-N-propylpyrazole-3,5-dicarboxamide
CID 173256492
N-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 79253183
3,5-diethyl-1-propylpyrazole
CID 82699697

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1-propylpyrazole-3-carboxamide?
The IUPAC name of 5-(2-methylpropyl)-1-propylpyrazole-3-carboxamide (CID 66958846) is 5-(2-methylpropyl)-1-propylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-methylpropyl)-1-propylpyrazole-3-carboxamide?
The canonical SMILES for 5-(2-methylpropyl)-1-propylpyrazole-3-carboxamide is CCCn1nc(C(N)=O)cc1CC(C)C.
What is the InChIKey of 5-(2-methylpropyl)-1-propylpyrazole-3-carboxamide?
The InChIKey is IXXGUNSGDFJSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-5-14-9(6-8(2)3)7-10(13-14)11(12)15/h7-8H,4-6H2,1-3H3,(H2,12,15).
What are the key properties of 5-(2-methylpropyl)-1-propylpyrazole-3-carboxamide?
5-(2-methylpropyl)-1-propylpyrazole-3-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1-propylpyrazole-3-carboxamide is sourced from PubChem (CID 66958846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).