3-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

C11H8F3N3O — CID 70096990

IUPAC3-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(-c2ccccc2)n[nH]c1C(F)(F)F
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)9-7(10(15)18)8(16-17-9)6-4-2-1-3-5-6/h1-5H,(H2,15,18)(H,16,17)
InChIKeyBIMYCMRWHKDEKN-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.19
Rot. Bonds2

About 3-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

3-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (PubChem CID 70096990) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 3-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
PubChem CID70096990
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name3-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(-c2ccccc2)n[nH]c1C(F)(F)F
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)9-7(10(15)18)8(16-17-9)6-4-2-1-3-5-6/h1-5H,(H2,15,18)(H,16,17)
InChIKeyBIMYCMRWHKDEKN-UHFFFAOYSA-N
XLogP2.19
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CID 70096990) is 3-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is NC(=O)c1c(-c2ccccc2)n[nH]c1C(F)(F)F.
What is the InChIKey of 3-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is BIMYCMRWHKDEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)9-7(10(15)18)8(16-17-9)6-4-2-1-3-5-6/h1-5H,(H2,15,18)(H,16,17).
What are the key properties of 3-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
3-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 255.20 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 70096990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).