1-(difluoromethyl)-N-(2-hydroxyphenyl)pyrazole-3-carboxamide

C11H9F2N3O2 — CID 19268438

IUPAC1-(difluoromethyl)-N-(2-hydroxyphenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1O)c1ccn(C(F)F)n1
InChIInChI=1S/C11H9F2N3O2/c12-11(13)16-6-5-8(15-16)10(18)14-7-3-1-2-4-9(7)17/h1-6,11,17H,(H,14,18)
InChIKeyBKAVLYYFQUGSRT-UHFFFAOYSA-N
MW253.21 g/mol
LogP2.24
Rot. Bonds3

About 1-(difluoromethyl)-N-(2-hydroxyphenyl)pyrazole-3-carboxamide

1-(difluoromethyl)-N-(2-hydroxyphenyl)pyrazole-3-carboxamide (PubChem CID 19268438) has the molecular formula C11H9F2N3O2 and a molecular weight of 253.21 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-(2-hydroxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-(2-hydroxyphenyl)pyrazole-3-carboxamide
PubChem CID19268438
Molecular FormulaC11H9F2N3O2
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name1-(difluoromethyl)-N-(2-hydroxyphenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1O)c1ccn(C(F)F)n1
InChIInChI=1S/C11H9F2N3O2/c12-11(13)16-6-5-8(15-16)10(18)14-7-3-1-2-4-9(7)17/h1-6,11,17H,(H,14,18)
InChIKeyBKAVLYYFQUGSRT-UHFFFAOYSA-N
XLogP2.24
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-(2-hydroxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-(2-hydroxyphenyl)pyrazole-3-carboxamide (CID 19268438) is 1-(difluoromethyl)-N-(2-hydroxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-(2-hydroxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-(2-hydroxyphenyl)pyrazole-3-carboxamide is O=C(Nc1ccccc1O)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-(2-hydroxyphenyl)pyrazole-3-carboxamide?
The InChIKey is BKAVLYYFQUGSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O2/c12-11(13)16-6-5-8(15-16)10(18)14-7-3-1-2-4-9(7)17/h1-6,11,17H,(H,14,18).
What are the key properties of 1-(difluoromethyl)-N-(2-hydroxyphenyl)pyrazole-3-carboxamide?
1-(difluoromethyl)-N-(2-hydroxyphenyl)pyrazole-3-carboxamide has a molecular weight of 253.21 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-(2-hydroxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19268438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).