4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine

C16H13ClFN3 — CID 63210614

IUPAC4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2cccc(Cl)c2)ccc1F
InChIInChI=1S/C16H13ClFN3/c1-9-7-11(5-6-13(9)18)15-14(16(19)21-20-15)10-3-2-4-12(17)8-10/h2-8H,1H3,(H3,19,20,21)
InChIKeyKXJKJWYNBYINAG-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.43
Rot. Bonds2

About 4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine

4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 63210614) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
PubChem CID63210614
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2cccc(Cl)c2)ccc1F
InChIInChI=1S/C16H13ClFN3/c1-9-7-11(5-6-13(9)18)15-14(16(19)21-20-15)10-3-2-4-12(17)8-10/h2-8H,1H3,(H3,19,20,21)
InChIKeyKXJKJWYNBYINAG-UHFFFAOYSA-N
XLogP4.43
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine (CID 63210614) is 4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine is Cc1cc(-c2[nH]nc(N)c2-c2cccc(Cl)c2)ccc1F.
What is the InChIKey of 4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is KXJKJWYNBYINAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c1-9-7-11(5-6-13(9)18)15-14(16(19)21-20-15)10-3-2-4-12(17)8-10/h2-8H,1H3,(H3,19,20,21).
What are the key properties of 4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine?
4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 301.75 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 63210614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).