5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine

C9H7F3N4 — CID 90328794

IUPAC5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCc1ccn(-c2cnc(C(F)(F)F)nc2)n1
InChIInChI=1S/C9H7F3N4/c1-6-2-3-16(15-6)7-4-13-8(14-5-7)9(10,11)12/h2-5H,1H3
InChIKeyJNXRVMYABUJGOM-UHFFFAOYSA-N
MW228.18 g/mol
LogP1.99
Rot. Bonds1

About 5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine

5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 90328794) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID90328794
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCc1ccn(-c2cnc(C(F)(F)F)nc2)n1
InChIInChI=1S/C9H7F3N4/c1-6-2-3-16(15-6)7-4-13-8(14-5-7)9(10,11)12/h2-5H,1H3
InChIKeyJNXRVMYABUJGOM-UHFFFAOYSA-N
XLogP1.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methylpyrazolo[1,5-a]pyrimidine
CID 12581392
5-Methyl-s-triazolo(1,5-a)pyrimidine
CID 584230
3-[3-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67814206
3-[5-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67818467
2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67988921
4-N-methyl-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093006
2-N-(1,5-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281523
4-N-methyl-2-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281529
2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281678
2-N-(1-ethyl-5-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281708
7-Methylpyrazolo(1,5-a)pyrimidine
CID 12581393
4-N-methyl-2-N-[3-methyl-1-(2-pyrimidin-2-ylpropan-2-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72190900

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine (CID 90328794) is 5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine is Cc1ccn(-c2cnc(C(F)(F)F)nc2)n1.
What is the InChIKey of 5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is JNXRVMYABUJGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c1-6-2-3-16(15-6)7-4-13-8(14-5-7)9(10,11)12/h2-5H,1H3.
What are the key properties of 5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 228.18 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 90328794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).