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

C9H7F3N4O — CID 122532992

IUPAC5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCOc1ccn(-c2cnc(C(F)(F)F)nc2)n1
InChIInChI=1S/C9H7F3N4O/c1-17-7-2-3-16(15-7)6-4-13-8(14-5-6)9(10,11)12/h2-5H,1H3
InChIKeyYAMKLOXYTMMYCN-UHFFFAOYSA-N
MW244.18 g/mol
LogP1.69
Rot. Bonds2

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

5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 122532992) has the molecular formula C9H7F3N4O and a molecular weight of 244.18 g/mol. Its IUPAC name is 5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID122532992
Molecular FormulaC9H7F3N4O
Molecular Weight244.18 g/mol
Exact Mass244.06
IUPAC Name5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCOc1ccn(-c2cnc(C(F)(F)F)nc2)n1
InChIInChI=1S/C9H7F3N4O/c1-17-7-2-3-16(15-7)6-4-13-8(14-5-6)9(10,11)12/h2-5H,1H3
InChIKeyYAMKLOXYTMMYCN-UHFFFAOYSA-N
XLogP1.69
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine (CID 122532992) is 5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine is COc1ccn(-c2cnc(C(F)(F)F)nc2)n1.
What is the InChIKey of 5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is YAMKLOXYTMMYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O/c1-17-7-2-3-16(15-7)6-4-13-8(14-5-6)9(10,11)12/h2-5H,1H3.
What are the key properties of 5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 244.18 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 122532992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).