4-amino-5-propyl-2-pyrimidin-4-yl-1H-pyrazol-3-one

C10H13N5O — CID 103995429

IUPAC4-amino-5-propyl-2-pyrimidin-4-yl-1H-pyrazol-3-one
SMILESCCCc1[nH]n(-c2ccncn2)c(=O)c1N
InChIInChI=1S/C10H13N5O/c1-2-3-7-9(11)10(16)15(14-7)8-4-5-12-6-13-8/h4-6,14H,2-3,11H2,1H3
InChIKeyGKHWNYBRLZRWKJ-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.49
Rot. Bonds3

About 4-amino-5-propyl-2-pyrimidin-4-yl-1H-pyrazol-3-one

4-amino-5-propyl-2-pyrimidin-4-yl-1H-pyrazol-3-one (PubChem CID 103995429) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 4-amino-5-propyl-2-pyrimidin-4-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-propyl-2-pyrimidin-4-yl-1H-pyrazol-3-one
PubChem CID103995429
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name4-amino-5-propyl-2-pyrimidin-4-yl-1H-pyrazol-3-one
SMILESCCCc1[nH]n(-c2ccncn2)c(=O)c1N
InChIInChI=1S/C10H13N5O/c1-2-3-7-9(11)10(16)15(14-7)8-4-5-12-6-13-8/h4-6,14H,2-3,11H2,1H3
InChIKeyGKHWNYBRLZRWKJ-UHFFFAOYSA-N
XLogP0.49
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-5-propyl-2-pyrimidin-4-yl-1H-pyrazol-3-one 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 4-amino-5-propyl-2-pyrimidin-4-yl-1H-pyrazol-3-one?
The IUPAC name of 4-amino-5-propyl-2-pyrimidin-4-yl-1H-pyrazol-3-one (CID 103995429) is 4-amino-5-propyl-2-pyrimidin-4-yl-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-5-propyl-2-pyrimidin-4-yl-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-5-propyl-2-pyrimidin-4-yl-1H-pyrazol-3-one is CCCc1[nH]n(-c2ccncn2)c(=O)c1N.
What is the InChIKey of 4-amino-5-propyl-2-pyrimidin-4-yl-1H-pyrazol-3-one?
The InChIKey is GKHWNYBRLZRWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-2-3-7-9(11)10(16)15(14-7)8-4-5-12-6-13-8/h4-6,14H,2-3,11H2,1H3.
What are the key properties of 4-amino-5-propyl-2-pyrimidin-4-yl-1H-pyrazol-3-one?
4-amino-5-propyl-2-pyrimidin-4-yl-1H-pyrazol-3-one has a molecular weight of 219.25 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-propyl-2-pyrimidin-4-yl-1H-pyrazol-3-one is sourced from PubChem (CID 103995429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).