N-[(4-chloro-2-fluorophenyl)methyl]-1-methylpyrazol-3-amine

C11H11ClFN3 — CID 114842024

IUPACN-[(4-chloro-2-fluorophenyl)methyl]-1-methylpyrazol-3-amine
SMILESCn1ccc(NCc2ccc(Cl)cc2F)n1
InChIInChI=1S/C11H11ClFN3/c1-16-5-4-11(15-16)14-7-8-2-3-9(12)6-10(8)13/h2-6H,7H2,1H3,(H,14,15)
InChIKeyOLRGCGGNEDHXID-UHFFFAOYSA-N
MW239.68 g/mol
LogP2.82
Rot. Bonds3

About N-[(4-chloro-2-fluorophenyl)methyl]-1-methylpyrazol-3-amine

N-[(4-chloro-2-fluorophenyl)methyl]-1-methylpyrazol-3-amine (PubChem CID 114842024) has the molecular formula C11H11ClFN3 and a molecular weight of 239.68 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]-1-methylpyrazol-3-amine
PubChem CID114842024
Molecular FormulaC11H11ClFN3
Molecular Weight239.68 g/mol
Exact Mass239.06
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]-1-methylpyrazol-3-amine
SMILESCn1ccc(NCc2ccc(Cl)cc2F)n1
InChIInChI=1S/C11H11ClFN3/c1-16-5-4-11(15-16)14-7-8-2-3-9(12)6-10(8)13/h2-6H,7H2,1H3,(H,14,15)
InChIKeyOLRGCGGNEDHXID-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-1-methylpyrazol-3-amine (CID 114842024) is N-[(4-chloro-2-fluorophenyl)methyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]-1-methylpyrazol-3-amine is Cn1ccc(NCc2ccc(Cl)cc2F)n1.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]-1-methylpyrazol-3-amine?
The InChIKey is OLRGCGGNEDHXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3/c1-16-5-4-11(15-16)14-7-8-2-3-9(12)6-10(8)13/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]-1-methylpyrazol-3-amine?
N-[(4-chloro-2-fluorophenyl)methyl]-1-methylpyrazol-3-amine has a molecular weight of 239.68 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 114842024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).