2-(4-chloropyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine

C15H10ClF3N4O — CID 3331216

IUPAC2-(4-chloropyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine
SMILESCOc1cccc(-c2cc(C(F)(F)F)nc(-n3cc(Cl)cn3)n2)c1
InChIInChI=1S/C15H10ClF3N4O/c1-24-11-4-2-3-9(5-11)12-6-13(15(17,18)19)22-14(21-12)23-8-10(16)7-20-23/h2-8H,1H3
InChIKeyJCPIOAQCOAOLKI-UHFFFAOYSA-N
MW354.72 g/mol
LogP4.01
Rot. Bonds3

About 2-(4-chloropyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine

2-(4-chloropyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine (PubChem CID 3331216) has the molecular formula C15H10ClF3N4O and a molecular weight of 354.72 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine
PubChem CID3331216
Molecular FormulaC15H10ClF3N4O
Molecular Weight354.72 g/mol
Exact Mass354.05
IUPAC Name2-(4-chloropyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine
SMILESCOc1cccc(-c2cc(C(F)(F)F)nc(-n3cc(Cl)cn3)n2)c1
InChIInChI=1S/C15H10ClF3N4O/c1-24-11-4-2-3-9(5-11)12-6-13(15(17,18)19)22-14(21-12)23-8-10(16)7-20-23/h2-8H,1H3
InChIKeyJCPIOAQCOAOLKI-UHFFFAOYSA-N
XLogP4.01
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323
Pyrazolo[1,5-b]pyridazine deriv. 39
CID 6539381
3-Fluoropropyl 4-[1,2,4]triazolo[1,5-a]pyrimidin-7-ylphenyl ether
CID 3725345
4-(3-methoxyphenyl)-2-(4-methyl-1H-pyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 16193783
6-(3-Methoxyphenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 620319
4-Difluoromethyl-2-(3,5-dimethyl-pyrazol-1-yl)-6-(4-methoxy-phenyl)-pyrimidine
CID 651086
6-(1-methyl-1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 42635815
6-(1-isobutyl-1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 49781216
4-Chloro-6-[4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
CID 164625093
4-Chloro-6-[4-[(2-methoxyphenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
CID 166101473
2-N-[2-methoxy-4-(2-methylpyrazol-3-yl)phenyl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 71566620
US11583532, Example 7.5
CID 155792457

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine (CID 3331216) is 2-(4-chloropyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine is COc1cccc(-c2cc(C(F)(F)F)nc(-n3cc(Cl)cn3)n2)c1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is JCPIOAQCOAOLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O/c1-24-11-4-2-3-9(5-11)12-6-13(15(17,18)19)22-14(21-12)23-8-10(16)7-20-23/h2-8H,1H3.
What are the key properties of 2-(4-chloropyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine?
2-(4-chloropyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 354.72 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 3331216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).