3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide

C9H15N3O — CID 58439643

IUPAC3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide
SMILESCC(C)CC(=O)NCc1ccn[nH]1
InChIInChI=1S/C9H15N3O/c1-7(2)5-9(13)10-6-8-3-4-11-12-8/h3-4,7H,5-6H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyJDQUBWHGXXOZCO-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.07
Rot. Bonds4

About 3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide

3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide (PubChem CID 58439643) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide
PubChem CID58439643
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide
SMILESCC(C)CC(=O)NCc1ccn[nH]1
InChIInChI=1S/C9H15N3O/c1-7(2)5-9(13)10-6-8-3-4-11-12-8/h3-4,7H,5-6H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyJDQUBWHGXXOZCO-UHFFFAOYSA-N
XLogP1.07
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide?
The IUPAC name of 3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide (CID 58439643) is 3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide.
What is the SMILES notation for 3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide?
The canonical SMILES for 3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide is CC(C)CC(=O)NCc1ccn[nH]1.
What is the InChIKey of 3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide?
The InChIKey is JDQUBWHGXXOZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)5-9(13)10-6-8-3-4-11-12-8/h3-4,7H,5-6H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide?
3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide has a molecular weight of 181.24 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide is sourced from PubChem (CID 58439643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).