3-(difluoromethyl)-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide

C12H11F2N3O2 — CID 122583226

IUPAC3-(difluoromethyl)-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cccc(O)c2)c(C(F)F)n1
InChIInChI=1S/C12H11F2N3O2/c1-17-6-9(10(16-17)11(13)14)12(19)15-7-3-2-4-8(18)5-7/h2-6,11,18H,1H3,(H,15,19)
InChIKeyVQDFWZHXXIMOLB-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.32
Rot. Bonds3

About 3-(difluoromethyl)-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide

3-(difluoromethyl)-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 122583226) has the molecular formula C12H11F2N3O2 and a molecular weight of 267.24 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
PubChem CID122583226
Molecular FormulaC12H11F2N3O2
Molecular Weight267.24 g/mol
Exact Mass267.08
IUPAC Name3-(difluoromethyl)-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cccc(O)c2)c(C(F)F)n1
InChIInChI=1S/C12H11F2N3O2/c1-17-6-9(10(16-17)11(13)14)12(19)15-7-3-2-4-8(18)5-7/h2-6,11,18H,1H3,(H,15,19)
InChIKeyVQDFWZHXXIMOLB-UHFFFAOYSA-N
XLogP2.32
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide (CID 122583226) is 3-(difluoromethyl)-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2cccc(O)c2)c(C(F)F)n1.
What is the InChIKey of 3-(difluoromethyl)-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is VQDFWZHXXIMOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2/c1-17-6-9(10(16-17)11(13)14)12(19)15-7-3-2-4-8(18)5-7/h2-6,11,18H,1H3,(H,15,19).
What are the key properties of 3-(difluoromethyl)-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide?
3-(difluoromethyl)-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 267.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 122583226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).