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

C11H8F3N3O2 — CID 723660

IUPACN-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccn[nH]1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)19-8-3-1-7(2-4-8)16-10(18)9-5-6-15-17-9/h1-6H,(H,15,17)(H,16,18)
InChIKeyTXLNVQOPWGVRFO-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.56
Rot. Bonds3

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

N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 723660) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID723660
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC NameN-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccn[nH]1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)19-8-3-1-7(2-4-8)16-10(18)9-5-6-15-17-9/h1-6H,(H,15,17)(H,16,18)
InChIKeyTXLNVQOPWGVRFO-UHFFFAOYSA-N
XLogP2.56
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
N-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 63078720
4-iodo-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19479801
3-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19508730
4-amino-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43642905
6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide
CID 7185957
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 23633123
N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
CID 160971562
N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
CID 23633023
2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 54920900

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide (CID 723660) is N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccn[nH]1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is TXLNVQOPWGVRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c12-11(13,14)19-8-3-1-7(2-4-8)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-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 271.20 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 723660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).