(1-methylpyrazol-3-yl)-pyrimidin-4-ylmethanone

C9H8N4O — CID 103130393

IUPAC(1-methylpyrazol-3-yl)-pyrimidin-4-ylmethanone
SMILESCn1ccc(C(=O)c2ccncn2)n1
InChIInChI=1S/C9H8N4O/c1-13-5-3-8(12-13)9(14)7-2-4-10-6-11-7/h2-6H,1H3
InChIKeyUDCCAHRIJKOWNB-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.44
Rot. Bonds2

About (1-methylpyrazol-3-yl)-pyrimidin-4-ylmethanone

(1-methylpyrazol-3-yl)-pyrimidin-4-ylmethanone (PubChem CID 103130393) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-pyrimidin-4-ylmethanone
PubChem CID103130393
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name(1-methylpyrazol-3-yl)-pyrimidin-4-ylmethanone
SMILESCn1ccc(C(=O)c2ccncn2)n1
InChIInChI=1S/C9H8N4O/c1-13-5-3-8(12-13)9(14)7-2-4-10-6-11-7/h2-6H,1H3
InChIKeyUDCCAHRIJKOWNB-UHFFFAOYSA-N
XLogP0.44
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-methylpyrazol-3-yl)-pyrimidin-4-ylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

(1-methylpyrazol-3-yl)-(1,3-thiazol-5-yl)methanone
CID 103130489
1-methylpyrazole-3-carboxamide
CID 13464586
(1-methylpyrazol-3-yl)-[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 171335788
ethane;pyrimidine-4-carboxamide
CID 167507901
(4-bromo-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanone
CID 114640203
(3,4-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195639
2-methyl-1-pyrimidin-4-ylprop-2-en-1-one
CID 79189821
(2-iodophenyl)-(1-methylpyrazol-3-yl)methanone
CID 103133832
(3-methylphenyl)-pyrimidin-4-ylmethanone
CID 63989761
(2,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195527
(2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone
CID 103133703
(2-amino-5-chloro-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone
CID 65195804

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-pyrimidin-4-ylmethanone?
The IUPAC name of (1-methylpyrazol-3-yl)-pyrimidin-4-ylmethanone (CID 103130393) is (1-methylpyrazol-3-yl)-pyrimidin-4-ylmethanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-pyrimidin-4-ylmethanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-pyrimidin-4-ylmethanone is Cn1ccc(C(=O)c2ccncn2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-pyrimidin-4-ylmethanone?
The InChIKey is UDCCAHRIJKOWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-13-5-3-8(12-13)9(14)7-2-4-10-6-11-7/h2-6H,1H3.
What are the key properties of (1-methylpyrazol-3-yl)-pyrimidin-4-ylmethanone?
(1-methylpyrazol-3-yl)-pyrimidin-4-ylmethanone has a molecular weight of 188.19 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-pyrimidin-4-ylmethanone is sourced from PubChem (CID 103130393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).