(1-methylpyrazol-4-yl)-pyrimidin-5-ylmethanone

C9H8N4O — CID 65195915

IUPAC(1-methylpyrazol-4-yl)-pyrimidin-5-ylmethanone
SMILESCn1cc(C(=O)c2cncnc2)cn1
InChIInChI=1S/C9H8N4O/c1-13-5-8(4-12-13)9(14)7-2-10-6-11-3-7/h2-6H,1H3
InChIKeyDUUFLGILHONODR-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.44
Rot. Bonds2

About (1-methylpyrazol-4-yl)-pyrimidin-5-ylmethanone

(1-methylpyrazol-4-yl)-pyrimidin-5-ylmethanone (PubChem CID 65195915) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-pyrimidin-5-ylmethanone
PubChem CID65195915
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name(1-methylpyrazol-4-yl)-pyrimidin-5-ylmethanone
SMILESCn1cc(C(=O)c2cncnc2)cn1
InChIInChI=1S/C9H8N4O/c1-13-5-8(4-12-13)9(14)7-2-10-6-11-3-7/h2-6H,1H3
InChIKeyDUUFLGILHONODR-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-4-yl)-pyrimidin-5-ylmethanone 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 (1-methylpyrazol-4-yl)-pyrimidin-5-ylmethanone?
The IUPAC name of (1-methylpyrazol-4-yl)-pyrimidin-5-ylmethanone (CID 65195915) is (1-methylpyrazol-4-yl)-pyrimidin-5-ylmethanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-pyrimidin-5-ylmethanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-pyrimidin-5-ylmethanone is Cn1cc(C(=O)c2cncnc2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-pyrimidin-5-ylmethanone?
The InChIKey is DUUFLGILHONODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-13-5-8(4-12-13)9(14)7-2-10-6-11-3-7/h2-6H,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-pyrimidin-5-ylmethanone?
(1-methylpyrazol-4-yl)-pyrimidin-5-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-4-yl)-pyrimidin-5-ylmethanone is sourced from PubChem (CID 65195915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).