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

C11H7F3IN3O2 — CID 19479801

IUPAC4-iodo-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1[nH]ncc1I
InChIInChI=1S/C11H7F3IN3O2/c12-11(13,14)20-7-3-1-6(2-4-7)17-10(19)9-8(15)5-16-18-9/h1-5H,(H,16,18)(H,17,19)
InChIKeyZIHCKMPQXFLLLV-UHFFFAOYSA-N
MW397.09 g/mol
LogP3.17
Rot. Bonds3

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

4-iodo-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 19479801) has the molecular formula C11H7F3IN3O2 and a molecular weight of 397.09 g/mol. Its IUPAC name is 4-iodo-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-iodo-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID19479801
Molecular FormulaC11H7F3IN3O2
Molecular Weight397.09 g/mol
Exact Mass396.95
IUPAC Name4-iodo-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1[nH]ncc1I
InChIInChI=1S/C11H7F3IN3O2/c12-11(13,14)20-7-3-1-6(2-4-7)17-10(19)9-8(15)5-16-18-9/h1-5H,(H,16,18)(H,17,19)
InChIKeyZIHCKMPQXFLLLV-UHFFFAOYSA-N
XLogP3.17
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.09
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 723660
N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
CID 160971562
6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide
CID 7185957
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
3-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19508730
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
5-iodo-N-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxamide
CID 78949352
1-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 115565023
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-iodo-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide (CID 19479801) is 4-iodo-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-iodo-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-iodo-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1[nH]ncc1I.
What is the InChIKey of 4-iodo-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is ZIHCKMPQXFLLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3IN3O2/c12-11(13,14)20-7-3-1-6(2-4-7)17-10(19)9-8(15)5-16-18-9/h1-5H,(H,16,18)(H,17,19).
What are the key properties of 4-iodo-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
4-iodo-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 397.09 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19479801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).