4-chloro-6-(4-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine

C9H6ClF3N4O — CID 114273919

IUPAC4-chloro-6-(4-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCOc1cnn(-c2cc(Cl)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C9H6ClF3N4O/c1-18-5-3-14-17(4-5)7-2-6(10)15-8(16-7)9(11,12)13/h2-4H,1H3
InChIKeyVUGNWFKWZZXMMH-UHFFFAOYSA-N
MW278.62 g/mol
LogP2.34
Rot. Bonds2

About 4-chloro-6-(4-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine

4-chloro-6-(4-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 114273919) has the molecular formula C9H6ClF3N4O and a molecular weight of 278.62 g/mol. Its IUPAC name is 4-chloro-6-(4-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID114273919
Molecular FormulaC9H6ClF3N4O
Molecular Weight278.62 g/mol
Exact Mass278.02
IUPAC Name4-chloro-6-(4-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCOc1cnn(-c2cc(Cl)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C9H6ClF3N4O/c1-18-5-3-14-17(4-5)7-2-6(10)15-8(16-7)9(11,12)13/h2-4H,1H3
InChIKeyVUGNWFKWZZXMMH-UHFFFAOYSA-N
XLogP2.34
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.62
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-Dichloro-6-methoxypyrazolo[1,5-a]pyrimidine
CID 122362549
Methyl 4-chloro-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine-2-carboxylate
CID 162778506
6-(2,2-Difluoroethoxy)pyrazolo[1,5-a]pyrimidine
CID 171505650
4-Chloro-5-methoxy-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 81724150
4-Chloro-5-methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 81724694
4-Chloro-2-(ethoxymethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 104336970
4-Chloro-6-(1-methylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine
CID 106766859
4-Chloro-6-(1-propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine
CID 106766861
4-Chloro-6-pyrazol-1-yl-2-(trifluoromethyl)pyrimidine
CID 106768554
4-Chloro-2-(methoxymethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 113401084
4-Chloro-6-(1-ethylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidine
CID 113875183
4-Fluoro-6-(4-methoxypyrazol-1-yl)pyrimidine
CID 130511213

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(4-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine (CID 114273919) is 4-chloro-6-(4-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(4-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(4-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine is COc1cnn(-c2cc(Cl)nc(C(F)(F)F)n2)c1.
What is the InChIKey of 4-chloro-6-(4-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is VUGNWFKWZZXMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N4O/c1-18-5-3-14-17(4-5)7-2-6(10)15-8(16-7)9(11,12)13/h2-4H,1H3.
What are the key properties of 4-chloro-6-(4-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(4-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 278.62 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 114273919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).