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

C17H15ClFN3 — CID 167786875

IUPAC2-[(4-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]pyrazol-3-amine
SMILESFc1cccc(CNc2ccnn2Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClFN3/c18-15-6-4-13(5-7-15)12-22-17(8-9-21-22)20-11-14-2-1-3-16(19)10-14/h1-10,20H,11-12H2
InChIKeyXUOPGROTGFGPBV-UHFFFAOYSA-N
MW315.78 g/mol
LogP4.34
Rot. Bonds5

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

2-[(4-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]pyrazol-3-amine (PubChem CID 167786875) has the molecular formula C17H15ClFN3 and a molecular weight of 315.78 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]pyrazol-3-amine
PubChem CID167786875
Molecular FormulaC17H15ClFN3
Molecular Weight315.78 g/mol
Exact Mass315.09
IUPAC Name2-[(4-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]pyrazol-3-amine
SMILESFc1cccc(CNc2ccnn2Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClFN3/c18-15-6-4-13(5-7-15)12-22-17(8-9-21-22)20-11-14-2-1-3-16(19)10-14/h1-10,20H,11-12H2
InChIKeyXUOPGROTGFGPBV-UHFFFAOYSA-N
XLogP4.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]pyrazol-3-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]pyrazol-3-amine (CID 167786875) is 2-[(4-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]pyrazol-3-amine is Fc1cccc(CNc2ccnn2Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]pyrazol-3-amine?
The InChIKey is XUOPGROTGFGPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3/c18-15-6-4-13(5-7-15)12-22-17(8-9-21-22)20-11-14-2-1-3-16(19)10-14/h1-10,20H,11-12H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]pyrazol-3-amine?
2-[(4-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]pyrazol-3-amine has a molecular weight of 315.78 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 167786875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).