2-[(3-chloro-5-fluorophenyl)methyl]pyrazol-3-amine

C10H9ClFN3 — CID 114453200

IUPAC2-[(3-chloro-5-fluorophenyl)methyl]pyrazol-3-amine
SMILESNc1ccnn1Cc1cc(F)cc(Cl)c1
InChIInChI=1S/C10H9ClFN3/c11-8-3-7(4-9(12)5-8)6-15-10(13)1-2-14-15/h1-5H,6,13H2
InChIKeyZPSHJAFUMGDDLT-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.31
Rot. Bonds2

About 2-[(3-chloro-5-fluorophenyl)methyl]pyrazol-3-amine

2-[(3-chloro-5-fluorophenyl)methyl]pyrazol-3-amine (PubChem CID 114453200) has the molecular formula C10H9ClFN3 and a molecular weight of 225.65 g/mol. Its IUPAC name is 2-[(3-chloro-5-fluorophenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[(3-chloro-5-fluorophenyl)methyl]pyrazol-3-amine
PubChem CID114453200
Molecular FormulaC10H9ClFN3
Molecular Weight225.65 g/mol
Exact Mass225.05
IUPAC Name2-[(3-chloro-5-fluorophenyl)methyl]pyrazol-3-amine
SMILESNc1ccnn1Cc1cc(F)cc(Cl)c1
InChIInChI=1S/C10H9ClFN3/c11-8-3-7(4-9(12)5-8)6-15-10(13)1-2-14-15/h1-5H,6,13H2
InChIKeyZPSHJAFUMGDDLT-UHFFFAOYSA-N
XLogP2.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-5-fluorophenyl)methyl]pyrazol-3-amine?
The IUPAC name of 2-[(3-chloro-5-fluorophenyl)methyl]pyrazol-3-amine (CID 114453200) is 2-[(3-chloro-5-fluorophenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 2-[(3-chloro-5-fluorophenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 2-[(3-chloro-5-fluorophenyl)methyl]pyrazol-3-amine is Nc1ccnn1Cc1cc(F)cc(Cl)c1.
What is the InChIKey of 2-[(3-chloro-5-fluorophenyl)methyl]pyrazol-3-amine?
The InChIKey is ZPSHJAFUMGDDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3/c11-8-3-7(4-9(12)5-8)6-15-10(13)1-2-14-15/h1-5H,6,13H2.
What are the key properties of 2-[(3-chloro-5-fluorophenyl)methyl]pyrazol-3-amine?
2-[(3-chloro-5-fluorophenyl)methyl]pyrazol-3-amine has a molecular weight of 225.65 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-5-fluorophenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 114453200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).