(4-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanamine

C16H13ClFN3 — CID 107330605

IUPAC(4-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanamine
SMILESNC(c1ccc(Cl)cc1F)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H13ClFN3/c17-11-6-7-13(14(18)10-11)16(19)15-8-9-20-21(15)12-4-2-1-3-5-12/h1-10,16H,19H2
InChIKeyCSGDCECSILZALV-UHFFFAOYSA-N
MW301.75 g/mol
LogP3.71
Rot. Bonds3

About (4-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanamine

(4-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanamine (PubChem CID 107330605) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanamine
PubChem CID107330605
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name(4-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanamine
SMILESNC(c1ccc(Cl)cc1F)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H13ClFN3/c17-11-6-7-13(14(18)10-11)16(19)15-8-9-20-21(15)12-4-2-1-3-5-12/h1-10,16H,19H2
InChIKeyCSGDCECSILZALV-UHFFFAOYSA-N
XLogP3.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330561
(2-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330490
(2,5-dibromophenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332044
(2-methylfuran-3-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330866
(2-chloro-4-fluorophenyl)-(2-phenylpyrazol-3-yl)methanol
CID 107330323
(5-methylfuran-2-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332054
(3-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330491
(4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114651067
(4-chloro-2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 115858401
1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 63961194
(5-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330252
(5-chloro-2-methylphenyl)-(2-methylpyrazol-3-yl)methanamine
CID 115858606

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanamine?
The IUPAC name of (4-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanamine (CID 107330605) is (4-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanamine.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanamine?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanamine is NC(c1ccc(Cl)cc1F)c1ccnn1-c1ccccc1.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanamine?
The InChIKey is CSGDCECSILZALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c17-11-6-7-13(14(18)10-11)16(19)15-8-9-20-21(15)12-4-2-1-3-5-12/h1-10,16H,19H2.
What are the key properties of (4-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanamine?
(4-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanamine has a molecular weight of 301.75 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanamine is sourced from PubChem (CID 107330605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).