(1-ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C14H18N6O — CID 6465535

IUPAC(1-ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCn1ccc(C(=O)N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C14H18N6O/c1-2-20-7-4-12(17-20)13(21)18-8-10-19(11-9-18)14-15-5-3-6-16-14/h3-7H,2,8-11H2,1H3
InChIKeyKUWJEOAXGOAETA-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.66
Rot. Bonds3

About (1-ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(1-ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 6465535) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID6465535
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name(1-ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCn1ccc(C(=O)N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C14H18N6O/c1-2-20-7-4-12(17-20)13(21)18-8-10-19(11-9-18)14-15-5-3-6-16-14/h3-7H,2,8-11H2,1H3
InChIKeyKUWJEOAXGOAETA-UHFFFAOYSA-N
XLogP0.66
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone 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-ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 6465535) is (1-ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CCn1ccc(C(=O)N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is KUWJEOAXGOAETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-2-20-7-4-12(17-20)13(21)18-8-10-19(11-9-18)14-15-5-3-6-16-14/h3-7H,2,8-11H2,1H3.
What are the key properties of (1-ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(1-ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 286.34 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 6465535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).