5-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine

C10H9ClFN3O — CID 117356021

IUPAC5-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1cc(F)c(-c2cc(N)n[nH]2)cc1Cl
InChIInChI=1S/C10H9ClFN3O/c1-16-9-3-7(12)5(2-6(9)11)8-4-10(13)15-14-8/h2-4H,1H3,(H3,13,14,15)
InChIKeyFLRAYBGHKCXNSH-UHFFFAOYSA-N
MW241.65 g/mol
LogP2.46
Rot. Bonds2

About 5-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine

5-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 117356021) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is 5-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine
PubChem CID117356021
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name5-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1cc(F)c(-c2cc(N)n[nH]2)cc1Cl
InChIInChI=1S/C10H9ClFN3O/c1-16-9-3-7(12)5(2-6(9)11)8-4-10(13)15-14-8/h2-4H,1H3,(H3,13,14,15)
InChIKeyFLRAYBGHKCXNSH-UHFFFAOYSA-N
XLogP2.46
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine (CID 117356021) is 5-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine is COc1cc(F)c(-c2cc(N)n[nH]2)cc1Cl.
What is the InChIKey of 5-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is FLRAYBGHKCXNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c1-16-9-3-7(12)5(2-6(9)11)8-4-10(13)15-14-8/h2-4H,1H3,(H3,13,14,15).
What are the key properties of 5-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine?
5-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 241.65 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-fluoro-4-methoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117356021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).