5-(4-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine

C16H13ClFN3 — CID 62828722

IUPAC5-(4-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1cccc(-c2c(N)n[nH]c2-c2ccc(Cl)cc2F)c1
InChIInChI=1S/C16H13ClFN3/c1-9-3-2-4-10(7-9)14-15(20-21-16(14)19)12-6-5-11(17)8-13(12)18/h2-8H,1H3,(H3,19,20,21)
InChIKeyAUCMAYKHEWPYAD-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.43
Rot. Bonds2

About 5-(4-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine

5-(4-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 62828722) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
PubChem CID62828722
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name5-(4-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1cccc(-c2c(N)n[nH]c2-c2ccc(Cl)cc2F)c1
InChIInChI=1S/C16H13ClFN3/c1-9-3-2-4-10(7-9)14-15(20-21-16(14)19)12-6-5-11(17)8-13(12)18/h2-8H,1H3,(H3,19,20,21)
InChIKeyAUCMAYKHEWPYAD-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 5-(4-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine (CID 62828722) is 5-(4-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine is Cc1cccc(-c2c(N)n[nH]c2-c2ccc(Cl)cc2F)c1.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is AUCMAYKHEWPYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c1-9-3-2-4-10(7-9)14-15(20-21-16(14)19)12-6-5-11(17)8-13(12)18/h2-8H,1H3,(H3,19,20,21).
What are the key properties of 5-(4-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine?
5-(4-chloro-2-fluorophenyl)-4-(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 5-(4-chloro-2-fluorophenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 62828722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).