3-(1-methylpyrazol-4-yl)-N-pentan-3-ylpropanamide

C12H21N3O — CID 60527677

IUPAC3-(1-methylpyrazol-4-yl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)CCc1cnn(C)c1
InChIInChI=1S/C12H21N3O/c1-4-11(5-2)14-12(16)7-6-10-8-13-15(3)9-10/h8-9,11H,4-7H2,1-3H3,(H,14,16)
InChIKeyOLRGTWJXPYIJFF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.66
Rot. Bonds6

About 3-(1-methylpyrazol-4-yl)-N-pentan-3-ylpropanamide

3-(1-methylpyrazol-4-yl)-N-pentan-3-ylpropanamide (PubChem CID 60527677) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-pentan-3-ylpropanamide
PubChem CID60527677
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-(1-methylpyrazol-4-yl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)CCc1cnn(C)c1
InChIInChI=1S/C12H21N3O/c1-4-11(5-2)14-12(16)7-6-10-8-13-15(3)9-10/h8-9,11H,4-7H2,1-3H3,(H,14,16)
InChIKeyOLRGTWJXPYIJFF-UHFFFAOYSA-N
XLogP1.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-pentan-3-ylpropanamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-pentan-3-ylpropanamide (CID 60527677) is 3-(1-methylpyrazol-4-yl)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-pentan-3-ylpropanamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)CCc1cnn(C)c1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-pentan-3-ylpropanamide?
The InChIKey is OLRGTWJXPYIJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-11(5-2)14-12(16)7-6-10-8-13-15(3)9-10/h8-9,11H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-pentan-3-ylpropanamide?
3-(1-methylpyrazol-4-yl)-N-pentan-3-ylpropanamide has a molecular weight of 223.32 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 60527677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).