3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide

C11H19N3O — CID 62691865

IUPAC3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide
SMILESCCC(C)CNC(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H19N3O/c1-5-7(2)6-12-11(15)10-8(3)13-14-9(10)4/h7H,5-6H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyZFUHWSVMRJTQGR-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.80
Rot. Bonds4

About 3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide (PubChem CID 62691865) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide
PubChem CID62691865
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide
SMILESCCC(C)CNC(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H19N3O/c1-5-7(2)6-12-11(15)10-8(3)13-14-9(10)4/h7H,5-6H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyZFUHWSVMRJTQGR-UHFFFAOYSA-N
XLogP1.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide (CID 62691865) is 3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide is CCC(C)CNC(=O)c1c(C)n[nH]c1C.
What is the InChIKey of 3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide?
The InChIKey is ZFUHWSVMRJTQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-7(2)6-12-11(15)10-8(3)13-14-9(10)4/h7H,5-6H2,1-4H3,(H,12,15)(H,13,14).
What are the key properties of 3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 62691865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).