3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide

C11H19N3O — CID 47404991

IUPAC3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
SMILESCC(C)CC(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C11H19N3O/c1-7(2)5-11(15)12-10-6-9(8(3)4)13-14-10/h6-8H,5H2,1-4H3,(H2,12,13,14,15)
InChIKeyQGDCWXLZMXIZRO-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.52
Rot. Bonds4

About 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide

3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide (PubChem CID 47404991) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
PubChem CID47404991
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
SMILESCC(C)CC(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C11H19N3O/c1-7(2)5-11(15)12-10-6-9(8(3)4)13-14-10/h6-8H,5H2,1-4H3,(H2,12,13,14,15)
InChIKeyQGDCWXLZMXIZRO-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide?
The IUPAC name of 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide (CID 47404991) is 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide?
The canonical SMILES for 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide is CC(C)CC(=O)Nc1cc(C(C)C)[nH]n1.
What is the InChIKey of 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide?
The InChIKey is QGDCWXLZMXIZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7(2)5-11(15)12-10-6-9(8(3)4)13-14-10/h6-8H,5H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide?
3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide has a molecular weight of 209.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide is sourced from PubChem (CID 47404991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).