4-(difluoromethyl)-2-(1-methylpyrazol-4-yl)pyrimidine-5-carboxylic acid

C10H8F2N4O2 — CID 65197670

IUPAC4-(difluoromethyl)-2-(1-methylpyrazol-4-yl)pyrimidine-5-carboxylic acid
SMILESCn1cc(-c2ncc(C(=O)O)c(C(F)F)n2)cn1
InChIInChI=1S/C10H8F2N4O2/c1-16-4-5(2-14-16)9-13-3-6(10(17)18)7(15-9)8(11)12/h2-4,8H,1H3,(H,17,18)
InChIKeyLKTZTVYIPFZGLK-UHFFFAOYSA-N
MW254.20 g/mol
LogP1.51
Rot. Bonds3

About 4-(difluoromethyl)-2-(1-methylpyrazol-4-yl)pyrimidine-5-carboxylic acid

4-(difluoromethyl)-2-(1-methylpyrazol-4-yl)pyrimidine-5-carboxylic acid (PubChem CID 65197670) has the molecular formula C10H8F2N4O2 and a molecular weight of 254.20 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(1-methylpyrazol-4-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(1-methylpyrazol-4-yl)pyrimidine-5-carboxylic acid
PubChem CID65197670
Molecular FormulaC10H8F2N4O2
Molecular Weight254.20 g/mol
Exact Mass254.06
IUPAC Name4-(difluoromethyl)-2-(1-methylpyrazol-4-yl)pyrimidine-5-carboxylic acid
SMILESCn1cc(-c2ncc(C(=O)O)c(C(F)F)n2)cn1
InChIInChI=1S/C10H8F2N4O2/c1-16-4-5(2-14-16)9-13-3-6(10(17)18)7(15-9)8(11)12/h2-4,8H,1H3,(H,17,18)
InChIKeyLKTZTVYIPFZGLK-UHFFFAOYSA-N
XLogP1.51
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(1-methylpyrazol-4-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-2-(1-methylpyrazol-4-yl)pyrimidine-5-carboxylic acid (CID 65197670) is 4-(difluoromethyl)-2-(1-methylpyrazol-4-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-2-(1-methylpyrazol-4-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-2-(1-methylpyrazol-4-yl)pyrimidine-5-carboxylic acid is Cn1cc(-c2ncc(C(=O)O)c(C(F)F)n2)cn1.
What is the InChIKey of 4-(difluoromethyl)-2-(1-methylpyrazol-4-yl)pyrimidine-5-carboxylic acid?
The InChIKey is LKTZTVYIPFZGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4O2/c1-16-4-5(2-14-16)9-13-3-6(10(17)18)7(15-9)8(11)12/h2-4,8H,1H3,(H,17,18).
What are the key properties of 4-(difluoromethyl)-2-(1-methylpyrazol-4-yl)pyrimidine-5-carboxylic acid?
4-(difluoromethyl)-2-(1-methylpyrazol-4-yl)pyrimidine-5-carboxylic acid has a molecular weight of 254.20 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(1-methylpyrazol-4-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 65197670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).