N-(1-methylpyrazol-3-yl)-N-pentylpropanamide

C12H21N3O — CID 67801413

IUPACN-(1-methylpyrazol-3-yl)-N-pentylpropanamide
SMILESCCCCCN(C1=NN(C=C1)C)C(=O)CC
InChIInChI=1S/C12H21N3O/c1-4-6-7-9-15(12(16)5-2)11-8-10-14(3)13-11/h8,10H,4-7,9H2,1-3H3
InChIKeyYZFJQLGGOWOKSJ-UHFFFAOYSA-N
MW223.31 g/mol
LogP2.20
Rot. Bonds6

About N-(1-methylpyrazol-3-yl)-N-pentylpropanamide

N-(1-methylpyrazol-3-yl)-N-pentylpropanamide (PubChem CID 67801413) has the molecular formula C12H21N3O and a molecular weight of 223.31 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-N-pentylpropanamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-N-pentylpropanamide
PubChem CID67801413
Molecular FormulaC12H21N3O
Molecular Weight223.31 g/mol
Exact Mass223.17
IUPAC NameN-(1-methylpyrazol-3-yl)-N-pentylpropanamide
SMILESCCCCCN(C1=NN(C=C1)C)C(=O)CC
InChIInChI=1S/C12H21N3O/c1-4-6-7-9-15(12(16)5-2)11-8-10-14(3)13-11/h8,10H,4-7,9H2,1-3H3
InChIKeyYZFJQLGGOWOKSJ-UHFFFAOYSA-N
XLogP2.20
TPSA38.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity220

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(1-methylpyrazol-3-yl)-N-pentylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-N-pentylpropanamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-N-pentylpropanamide (CID 67801413) is N-(1-methylpyrazol-3-yl)-N-pentylpropanamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-N-pentylpropanamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-N-pentylpropanamide is CCCCCN(C1=NN(C=C1)C)C(=O)CC.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-N-pentylpropanamide?
The InChIKey is YZFJQLGGOWOKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-6-7-9-15(12(16)5-2)11-8-10-14(3)13-11/h8,10H,4-7,9H2,1-3H3.
What are the key properties of N-(1-methylpyrazol-3-yl)-N-pentylpropanamide?
N-(1-methylpyrazol-3-yl)-N-pentylpropanamide has a molecular weight of 223.31 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-N-pentylpropanamide is sourced from PubChem (CID 67801413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).