4-(2,4-dichlorophenyl)-5-pyrazol-1-ylpyrimidine

C13H8Cl2N4 — CID 91088222

IUPAC4-(2,4-dichlorophenyl)-5-pyrazol-1-ylpyrimidine
SMILESClc1ccc(-c2ncncc2-n2cccn2)c(Cl)c1
InChIInChI=1S/C13H8Cl2N4/c14-9-2-3-10(11(15)6-9)13-12(7-16-8-17-13)19-5-1-4-18-19/h1-8H
InChIKeyYKRMQQHLYJNBSK-UHFFFAOYSA-N
MW291.14 g/mol
LogP3.64
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-5-pyrazol-1-ylpyrimidine

4-(2,4-dichlorophenyl)-5-pyrazol-1-ylpyrimidine (PubChem CID 91088222) has the molecular formula C13H8Cl2N4 and a molecular weight of 291.14 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-5-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-5-pyrazol-1-ylpyrimidine
PubChem CID91088222
Molecular FormulaC13H8Cl2N4
Molecular Weight291.14 g/mol
Exact Mass290.01
IUPAC Name4-(2,4-dichlorophenyl)-5-pyrazol-1-ylpyrimidine
SMILESClc1ccc(-c2ncncc2-n2cccn2)c(Cl)c1
InChIInChI=1S/C13H8Cl2N4/c14-9-2-3-10(11(15)6-9)13-12(7-16-8-17-13)19-5-1-4-18-19/h1-8H
InChIKeyYKRMQQHLYJNBSK-UHFFFAOYSA-N
XLogP3.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2,4-dichlorophenyl)-5-pyrazol-1-ylpyrimidine 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-(2,4-dichlorophenyl)-5-pyrazol-1-ylpyrimidine?
The IUPAC name of 4-(2,4-dichlorophenyl)-5-pyrazol-1-ylpyrimidine (CID 91088222) is 4-(2,4-dichlorophenyl)-5-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-5-pyrazol-1-ylpyrimidine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-5-pyrazol-1-ylpyrimidine is Clc1ccc(-c2ncncc2-n2cccn2)c(Cl)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-5-pyrazol-1-ylpyrimidine?
The InChIKey is YKRMQQHLYJNBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4/c14-9-2-3-10(11(15)6-9)13-12(7-16-8-17-13)19-5-1-4-18-19/h1-8H.
What are the key properties of 4-(2,4-dichlorophenyl)-5-pyrazol-1-ylpyrimidine?
4-(2,4-dichlorophenyl)-5-pyrazol-1-ylpyrimidine has a molecular weight of 291.14 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-5-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 91088222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).