1-phenyl-4-[(2,3,5-trifluorophenyl)methyl]pyrazole

C16H11F3N2 — CID 175276620

IUPAC1-phenyl-4-[(2,3,5-trifluorophenyl)methyl]pyrazole
SMILESFc1cc(F)c(F)c(Cc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C16H11F3N2/c17-13-7-12(16(19)15(18)8-13)6-11-9-20-21(10-11)14-4-2-1-3-5-14/h1-5,7-10H,6H2
InChIKeySYRIPFLVNFNPOB-UHFFFAOYSA-N
MW288.27 g/mol
LogP3.88
Rot. Bonds3

About 1-phenyl-4-[(2,3,5-trifluorophenyl)methyl]pyrazole

1-phenyl-4-[(2,3,5-trifluorophenyl)methyl]pyrazole (PubChem CID 175276620) has the molecular formula C16H11F3N2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-phenyl-4-[(2,3,5-trifluorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name1-phenyl-4-[(2,3,5-trifluorophenyl)methyl]pyrazole
PubChem CID175276620
Molecular FormulaC16H11F3N2
Molecular Weight288.27 g/mol
Exact Mass288.09
IUPAC Name1-phenyl-4-[(2,3,5-trifluorophenyl)methyl]pyrazole
SMILESFc1cc(F)c(F)c(Cc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C16H11F3N2/c17-13-7-12(16(19)15(18)8-13)6-11-9-20-21(10-11)14-4-2-1-3-5-14/h1-5,7-10H,6H2
InChIKeySYRIPFLVNFNPOB-UHFFFAOYSA-N
XLogP3.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 26541420
1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 18135903
2-(2-fluorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 43824526
N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 18152786
4-(2-chloroethyl)-1-phenylpyrazole
CID 64867718
1-phenyl-4-propylpyrazole
CID 12902534
2-(1-phenylpyrazol-4-yl)ethanethiol
CID 134448199
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671
2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
CID 82282985
4-chloro-2-fluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17495378
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 18152085
N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 35057961

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(2,3,5-trifluorophenyl)methyl]pyrazole?
The IUPAC name of 1-phenyl-4-[(2,3,5-trifluorophenyl)methyl]pyrazole (CID 175276620) is 1-phenyl-4-[(2,3,5-trifluorophenyl)methyl]pyrazole.
What is the SMILES notation for 1-phenyl-4-[(2,3,5-trifluorophenyl)methyl]pyrazole?
The canonical SMILES for 1-phenyl-4-[(2,3,5-trifluorophenyl)methyl]pyrazole is Fc1cc(F)c(F)c(Cc2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of 1-phenyl-4-[(2,3,5-trifluorophenyl)methyl]pyrazole?
The InChIKey is SYRIPFLVNFNPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2/c17-13-7-12(16(19)15(18)8-13)6-11-9-20-21(10-11)14-4-2-1-3-5-14/h1-5,7-10H,6H2.
What are the key properties of 1-phenyl-4-[(2,3,5-trifluorophenyl)methyl]pyrazole?
1-phenyl-4-[(2,3,5-trifluorophenyl)methyl]pyrazole has a molecular weight of 288.27 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(2,3,5-trifluorophenyl)methyl]pyrazole is sourced from PubChem (CID 175276620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).