5-(3-chloro-4-fluorophenyl)-N-methyl-1H-pyrazol-3-amine

C10H9ClFN3 — CID 63047779

IUPAC5-(3-chloro-4-fluorophenyl)-N-methyl-1H-pyrazol-3-amine
SMILESCNc1cc(-c2ccc(F)c(Cl)c2)[nH]n1
InChIInChI=1S/C10H9ClFN3/c1-13-10-5-9(14-15-10)6-2-3-8(12)7(11)4-6/h2-5H,1H3,(H2,13,14,15)
InChIKeyJWFGSGDQJCSKHK-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.91
Rot. Bonds2

About 5-(3-chloro-4-fluorophenyl)-N-methyl-1H-pyrazol-3-amine

5-(3-chloro-4-fluorophenyl)-N-methyl-1H-pyrazol-3-amine (PubChem CID 63047779) has the molecular formula C10H9ClFN3 and a molecular weight of 225.65 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-N-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-N-methyl-1H-pyrazol-3-amine
PubChem CID63047779
Molecular FormulaC10H9ClFN3
Molecular Weight225.65 g/mol
Exact Mass225.05
IUPAC Name5-(3-chloro-4-fluorophenyl)-N-methyl-1H-pyrazol-3-amine
SMILESCNc1cc(-c2ccc(F)c(Cl)c2)[nH]n1
InChIInChI=1S/C10H9ClFN3/c1-13-10-5-9(14-15-10)6-2-3-8(12)7(11)4-6/h2-5H,1H3,(H2,13,14,15)
InChIKeyJWFGSGDQJCSKHK-UHFFFAOYSA-N
XLogP2.91
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-N-methyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-N-methyl-1H-pyrazol-3-amine (CID 63047779) is 5-(3-chloro-4-fluorophenyl)-N-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-N-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-N-methyl-1H-pyrazol-3-amine is CNc1cc(-c2ccc(F)c(Cl)c2)[nH]n1.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-N-methyl-1H-pyrazol-3-amine?
The InChIKey is JWFGSGDQJCSKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3/c1-13-10-5-9(14-15-10)6-2-3-8(12)7(11)4-6/h2-5H,1H3,(H2,13,14,15).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-N-methyl-1H-pyrazol-3-amine?
5-(3-chloro-4-fluorophenyl)-N-methyl-1H-pyrazol-3-amine has a molecular weight of 225.65 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-N-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 63047779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).