1-(3-chloro-5-fluorophenyl)pyrazol-3-amine

C9H7ClFN3 — CID 107371299

IUPAC1-(3-chloro-5-fluorophenyl)pyrazol-3-amine
SMILESNc1ccn(-c2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C9H7ClFN3/c10-6-3-7(11)5-8(4-6)14-2-1-9(12)13-14/h1-5H,(H2,12,13)
InChIKeyNRQLMDUABWDVPH-UHFFFAOYSA-N
MW211.63 g/mol
LogP2.25
Rot. Bonds1

About 1-(3-chloro-5-fluorophenyl)pyrazol-3-amine

1-(3-chloro-5-fluorophenyl)pyrazol-3-amine (PubChem CID 107371299) has the molecular formula C9H7ClFN3 and a molecular weight of 211.63 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)pyrazol-3-amine
PubChem CID107371299
Molecular FormulaC9H7ClFN3
Molecular Weight211.63 g/mol
Exact Mass211.03
IUPAC Name1-(3-chloro-5-fluorophenyl)pyrazol-3-amine
SMILESNc1ccn(-c2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C9H7ClFN3/c10-6-3-7(11)5-8(4-6)14-2-1-9(12)13-14/h1-5H,(H2,12,13)
InChIKeyNRQLMDUABWDVPH-UHFFFAOYSA-N
XLogP2.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.63
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-5-fluorophenyl)-3-(hydroxymethyl)pyridazin-4-one
CID 91664547
2-(3-chloro-5-fluorophenyl)triazol-4-amine
CID 107371267
N-[[1-(3-chloro-5-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 107370963
1-(2-chloro-4-pyridinyl)pyrazol-3-amine
CID 134589171
N-[[1-(3-chloro-5-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpropan-1-amine
CID 107370969
N-[[1-(3-chloro-5-fluorophenyl)pyrazol-3-yl]methyl]-2-methoxyethanamine
CID 107370965
1-(3-bromo-4-chlorophenyl)pyrazol-3-amine
CID 102942955
1-(3-fluoro-4-nitrophenyl)pyrazol-3-amine
CID 102943043
1-(3-fluoro-4-methoxyphenyl)pyrazol-3-amine
CID 102942591
1-(4-fluoro-2-iodophenyl)pyrazol-3-amine
CID 102942946
1-(3-chloro-5-fluorophenyl)-4-(chloromethyl)triazole
CID 107370651
1-(5-fluoro-2-pyridinyl)pyrazol-3-amine
CID 61311412

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)pyrazol-3-amine?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)pyrazol-3-amine (CID 107371299) is 1-(3-chloro-5-fluorophenyl)pyrazol-3-amine.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)pyrazol-3-amine?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)pyrazol-3-amine is Nc1ccn(-c2cc(F)cc(Cl)c2)n1.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)pyrazol-3-amine?
The InChIKey is NRQLMDUABWDVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3/c10-6-3-7(11)5-8(4-6)14-2-1-9(12)13-14/h1-5H,(H2,12,13).
What are the key properties of 1-(3-chloro-5-fluorophenyl)pyrazol-3-amine?
1-(3-chloro-5-fluorophenyl)pyrazol-3-amine has a molecular weight of 211.63 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluorophenyl)pyrazol-3-amine is sourced from PubChem (CID 107371299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).