2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide

C8H14N4O — CID 43663755

IUPAC2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESCc1[nH]ncc1CNC(C)C(N)=O
InChIInChI=1S/C8H14N4O/c1-5-7(4-11-12-5)3-10-6(2)8(9)13/h4,6,10H,3H2,1-2H3,(H2,9,13)(H,11,12)
InChIKeyVJBAUUMZAMCQPT-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.32
Rot. Bonds4

About 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide

2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide (PubChem CID 43663755) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound Name2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide
PubChem CID43663755
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESCc1[nH]ncc1CNC(C)C(N)=O
InChIInChI=1S/C8H14N4O/c1-5-7(4-11-12-5)3-10-6(2)8(9)13/h4,6,10H,3H2,1-2H3,(H2,9,13)(H,11,12)
InChIKeyVJBAUUMZAMCQPT-UHFFFAOYSA-N
XLogP-0.32
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide 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 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide?
The IUPAC name of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide (CID 43663755) is 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide.
What is the SMILES notation for 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide?
The canonical SMILES for 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide is Cc1[nH]ncc1CNC(C)C(N)=O.
What is the InChIKey of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide?
The InChIKey is VJBAUUMZAMCQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5-7(4-11-12-5)3-10-6(2)8(9)13/h4,6,10H,3H2,1-2H3,(H2,9,13)(H,11,12).
What are the key properties of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide?
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide has a molecular weight of 182.23 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 43663755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).