3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine

C16H13ClFN3 — CID 83204238

IUPAC3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine
SMILESNc1cn(Cc2ccc(F)cc2)nc1-c1ccccc1Cl
InChIInChI=1S/C16H13ClFN3/c17-14-4-2-1-3-13(14)16-15(19)10-21(20-16)9-11-5-7-12(18)8-6-11/h1-8,10H,9,19H2
InChIKeyTULKKICYMJXKQY-UHFFFAOYSA-N
MW301.75 g/mol
LogP3.97
Rot. Bonds3

About 3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine

3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine (PubChem CID 83204238) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine
PubChem CID83204238
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine
SMILESNc1cn(Cc2ccc(F)cc2)nc1-c1ccccc1Cl
InChIInChI=1S/C16H13ClFN3/c17-14-4-2-1-3-13(14)16-15(19)10-21(20-16)9-11-5-7-12(18)8-6-11/h1-8,10H,9,19H2
InChIKeyTULKKICYMJXKQY-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine?
The IUPAC name of 3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine (CID 83204238) is 3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine is Nc1cn(Cc2ccc(F)cc2)nc1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine?
The InChIKey is TULKKICYMJXKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c17-14-4-2-1-3-13(14)16-15(19)10-21(20-16)9-11-5-7-12(18)8-6-11/h1-8,10H,9,19H2.
What are the key properties of 3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine?
3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine has a molecular weight of 301.75 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 83204238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).