N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide

C11H8F3N3O — CID 23056741

IUPACN-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccn[nH]1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)7-1-3-8(4-2-7)16-10(18)9-5-6-15-17-9/h1-6H,(H,15,17)(H,16,18)
InChIKeyOZPJJYMMIZHBRZ-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.68
Rot. Bonds2

About N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide

N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 23056741) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID23056741
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC NameN-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccn[nH]1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)7-1-3-8(4-2-7)16-10(18)9-5-6-15-17-9/h1-6H,(H,15,17)(H,16,18)
InChIKeyOZPJJYMMIZHBRZ-UHFFFAOYSA-N
XLogP2.68
TPSA57.78 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 ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide (CID 23056741) is N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccn[nH]1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is OZPJJYMMIZHBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)7-1-3-8(4-2-7)16-10(18)9-5-6-15-17-9/h1-6H,(H,15,17)(H,16,18).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 255.20 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 23056741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).