4-chloro-2-(methoxymethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine

C10H8ClF3N4O — CID 113401084

IUPAC4-chloro-2-(methoxymethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCOCc1nc(Cl)cc(-n2cc(C(F)(F)F)cn2)n1
InChIInChI=1S/C10H8ClF3N4O/c1-19-5-8-16-7(11)2-9(17-8)18-4-6(3-15-18)10(12,13)14/h2-4H,5H2,1H3
InChIKeyNUAXCDGXJGXZEW-UHFFFAOYSA-N
MW292.65 g/mol
LogP2.48
Rot. Bonds3

About 4-chloro-2-(methoxymethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine

4-chloro-2-(methoxymethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine (PubChem CID 113401084) has the molecular formula C10H8ClF3N4O and a molecular weight of 292.65 g/mol. Its IUPAC name is 4-chloro-2-(methoxymethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(methoxymethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine
PubChem CID113401084
Molecular FormulaC10H8ClF3N4O
Molecular Weight292.65 g/mol
Exact Mass292.03
IUPAC Name4-chloro-2-(methoxymethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCOCc1nc(Cl)cc(-n2cc(C(F)(F)F)cn2)n1
InChIInChI=1S/C10H8ClF3N4O/c1-19-5-8-16-7(11)2-9(17-8)18-4-6(3-15-18)10(12,13)14/h2-4H,5H2,1H3
InChIKeyNUAXCDGXJGXZEW-UHFFFAOYSA-N
XLogP2.48
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.65
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-(methoxymethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine 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

4-Chloro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 64177100
4-Chloro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 80734632
N-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)prop-2-enyl]-N-methyl-4-pyrazol-1-ylpyrimidin-2-amine
CID 142164715
N-methyl-4-pyrazol-1-yl-N-[2-(3,3,3-trifluoropropoxy)prop-2-enyl]pyrimidin-2-amine
CID 142164721
2,4-Dichloro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 162778457
Methyl 4-chloro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine-2-carboxylate
CID 162778506
2-[4-[4-Chloro-5-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]ethanol
CID 166535090
2-[4-[4-(Trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]propan-2-ol
CID 168867287
[4-[4-(Trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]methanol
CID 168867297
5-Fluoro-2-(methoxymethyl)-4-pyrazol-1-ylpyrimidine
CID 169574561
4-Chloro-1-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazolo[5,4-d]pyrimidine
CID 63220755
4-Chloro-2,5-dimethyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 64176929

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(methoxymethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The IUPAC name of 4-chloro-2-(methoxymethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine (CID 113401084) is 4-chloro-2-(methoxymethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-2-(methoxymethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-2-(methoxymethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine is COCc1nc(Cl)cc(-n2cc(C(F)(F)F)cn2)n1.
What is the InChIKey of 4-chloro-2-(methoxymethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The InChIKey is NUAXCDGXJGXZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4O/c1-19-5-8-16-7(11)2-9(17-8)18-4-6(3-15-18)10(12,13)14/h2-4H,5H2,1H3.
What are the key properties of 4-chloro-2-(methoxymethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
4-chloro-2-(methoxymethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine has a molecular weight of 292.65 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(methoxymethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 113401084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).