(2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine

C16H14FN3 — CID 43322500

IUPAC(2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine
SMILESNC(c1cnn(-c2ccccc2)c1)c1ccccc1F
InChIInChI=1S/C16H14FN3/c17-15-9-5-4-8-14(15)16(18)12-10-19-20(11-12)13-6-2-1-3-7-13/h1-11,16H,18H2
InChIKeyHNIJCZBXZKFGEH-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.06
Rot. Bonds3

About (2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine

(2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine (PubChem CID 43322500) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is (2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine
PubChem CID43322500
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name(2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine
SMILESNC(c1cnn(-c2ccccc2)c1)c1ccccc1F
InChIInChI=1S/C16H14FN3/c17-15-9-5-4-8-14(15)16(18)12-10-19-20(11-12)13-6-2-1-3-7-13/h1-11,16H,18H2
InChIKeyHNIJCZBXZKFGEH-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine
CID 43322483
(2-methylsulfanylphenyl)-(1-phenylpyrazol-4-yl)methanamine
CID 79212353
4-[bromo-(2-fluorophenyl)methyl]-1-phenylpyrazole
CID 61096147
1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486021
(2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 62662141
(2-bromo-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 81499833
4-[bromo-(5-bromo-2-fluorophenyl)methyl]-1-phenylpyrazole
CID 63441722
2,2,3,3,3-pentafluoro-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43248561
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
2-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
CID 105163593
(3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanamine
CID 105171096
4-[bromo-(2-methylsulfanylphenyl)methyl]-1-phenylpyrazole
CID 79211846

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine?
The IUPAC name of (2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine (CID 43322500) is (2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine.
What is the SMILES notation for (2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine?
The canonical SMILES for (2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine is NC(c1cnn(-c2ccccc2)c1)c1ccccc1F.
What is the InChIKey of (2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine?
The InChIKey is HNIJCZBXZKFGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c17-15-9-5-4-8-14(15)16(18)12-10-19-20(11-12)13-6-2-1-3-7-13/h1-11,16H,18H2.
What are the key properties of (2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine?
(2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine has a molecular weight of 267.31 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine is sourced from PubChem (CID 43322500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).