[1-(2-fluorophenyl)-5-phenylpyrazol-4-yl]methanamine

C16H14FN3 — CID 61368720

IUPAC[1-(2-fluorophenyl)-5-phenylpyrazol-4-yl]methanamine
SMILESNCc1cnn(-c2ccccc2F)c1-c1ccccc1
InChIInChI=1S/C16H14FN3/c17-14-8-4-5-9-15(14)20-16(13(10-18)11-19-20)12-6-2-1-3-7-12/h1-9,11H,10,18H2
InChIKeyXITWWQCSSOHSFS-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.14
Rot. Bonds3

About [1-(2-fluorophenyl)-5-phenylpyrazol-4-yl]methanamine

[1-(2-fluorophenyl)-5-phenylpyrazol-4-yl]methanamine (PubChem CID 61368720) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-5-phenylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-5-phenylpyrazol-4-yl]methanamine
PubChem CID61368720
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name[1-(2-fluorophenyl)-5-phenylpyrazol-4-yl]methanamine
SMILESNCc1cnn(-c2ccccc2F)c1-c1ccccc1
InChIInChI=1S/C16H14FN3/c17-14-8-4-5-9-15(14)20-16(13(10-18)11-19-20)12-6-2-1-3-7-12/h1-9,11H,10,18H2
InChIKeyXITWWQCSSOHSFS-UHFFFAOYSA-N
XLogP3.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 12106168
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CID 281048
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CID 4669245
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CID 5191592
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CID 54567
CID 54567
CID 71710904
CID 71710904
CID 6895242
CID 6895242
CID 137946
CID 137946
CID 10424186
CID 10424186
CID 7015036
CID 7015036
CID 7131170
CID 7131170
CID 43817898
CID 43817898

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-5-phenylpyrazol-4-yl]methanamine?
The IUPAC name of [1-(2-fluorophenyl)-5-phenylpyrazol-4-yl]methanamine (CID 61368720) is [1-(2-fluorophenyl)-5-phenylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-fluorophenyl)-5-phenylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-(2-fluorophenyl)-5-phenylpyrazol-4-yl]methanamine is NCc1cnn(-c2ccccc2F)c1-c1ccccc1.
What is the InChIKey of [1-(2-fluorophenyl)-5-phenylpyrazol-4-yl]methanamine?
The InChIKey is XITWWQCSSOHSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c17-14-8-4-5-9-15(14)20-16(13(10-18)11-19-20)12-6-2-1-3-7-12/h1-9,11H,10,18H2.
What are the key properties of [1-(2-fluorophenyl)-5-phenylpyrazol-4-yl]methanamine?
[1-(2-fluorophenyl)-5-phenylpyrazol-4-yl]methanamine has a molecular weight of 267.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-5-phenylpyrazol-4-yl]methanamine is sourced from PubChem (CID 61368720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).