1-(2-chloro-5-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde

C9H7ClN4O — CID 121268943

IUPAC1-(2-chloro-5-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde
SMILESCc1cnc(Cl)nc1-n1cc(C=O)cn1
InChIInChI=1S/C9H7ClN4O/c1-6-2-11-9(10)13-8(6)14-4-7(5-15)3-12-14/h2-5H,1H3
InChIKeyBGVBIWKZIOUFFQ-UHFFFAOYSA-N
MW222.64 g/mol
LogP1.44
Rot. Bonds2

About 1-(2-chloro-5-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde

1-(2-chloro-5-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde (PubChem CID 121268943) has the molecular formula C9H7ClN4O and a molecular weight of 222.64 g/mol. Its IUPAC name is 1-(2-chloro-5-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-chloro-5-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde
PubChem CID121268943
Molecular FormulaC9H7ClN4O
Molecular Weight222.64 g/mol
Exact Mass222.03
IUPAC Name1-(2-chloro-5-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde
SMILESCc1cnc(Cl)nc1-n1cc(C=O)cn1
InChIInChI=1S/C9H7ClN4O/c1-6-2-11-9(10)13-8(6)14-4-7(5-15)3-12-14/h2-5H,1H3
InChIKeyBGVBIWKZIOUFFQ-UHFFFAOYSA-N
XLogP1.44
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.64
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-(2-chloro-5-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde 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

Pyrazolo(1,5-a)pyrimidine-3-carbaldehyde
CID 6485991
6-Formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 50990808
6-Formylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50989583
Pyrazolo(1,5-a)pyrimidine-6-carbaldehyde
CID 50990809
6-Bromopyrazolo(1,5-a)pyrimidine-3-carbaldehyde
CID 54593562
5-Chloropyrazolo(1,5-a)pyrimidine-3-carbaldehyde
CID 58196401
2-(1-methyl-1H-pyrazol-4-yl)pyrimidine-5-carbaldehyde
CID 65197682
3-Bromopyrazolo[1,5-A]pyrimidine-6-carbaldehyde
CID 72207617
Pyrazolo(1,5-a)pyrimidine-3-carboxaldehyde, 6-methyl-
CID 83815717
1-(1-Methyl-1H-imidazol-4-yl)-1H-pyrazole-4-carbaldehyde
CID 86641655
7-Chloropyrazolo(1,5-a)pyrimidine-3-carbaldehyde
CID 89290393
2-Chloro-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 84666546

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(2-chloro-5-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde (CID 121268943) is 1-(2-chloro-5-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(2-chloro-5-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(2-chloro-5-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde is Cc1cnc(Cl)nc1-n1cc(C=O)cn1.
What is the InChIKey of 1-(2-chloro-5-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde?
The InChIKey is BGVBIWKZIOUFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O/c1-6-2-11-9(10)13-8(6)14-4-7(5-15)3-12-14/h2-5H,1H3.
What are the key properties of 1-(2-chloro-5-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde?
1-(2-chloro-5-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde has a molecular weight of 222.64 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 121268943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).