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

C15H10Cl2FN3 — CID 82788626

IUPAC4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cccc(Cl)c2)c1-c1cccc(Cl)c1F
InChIInChI=1S/C15H10Cl2FN3/c16-9-4-1-3-8(7-9)14-12(15(19)21-20-14)10-5-2-6-11(17)13(10)18/h1-7H,(H3,19,20,21)
InChIKeyVMQFRFCNVWSIJZ-UHFFFAOYSA-N
MW322.17 g/mol
LogP4.77
Rot. Bonds2

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

4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine (PubChem CID 82788626) has the molecular formula C15H10Cl2FN3 and a molecular weight of 322.17 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine
PubChem CID82788626
Molecular FormulaC15H10Cl2FN3
Molecular Weight322.17 g/mol
Exact Mass321.02
IUPAC Name4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cccc(Cl)c2)c1-c1cccc(Cl)c1F
InChIInChI=1S/C15H10Cl2FN3/c16-9-4-1-3-8(7-9)14-12(15(19)21-20-14)10-5-2-6-11(17)13(10)18/h1-7H,(H3,19,20,21)
InChIKeyVMQFRFCNVWSIJZ-UHFFFAOYSA-N
XLogP4.77
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine (CID 82788626) is 4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2cccc(Cl)c2)c1-c1cccc(Cl)c1F.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine?
The InChIKey is VMQFRFCNVWSIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN3/c16-9-4-1-3-8(7-9)14-12(15(19)21-20-14)10-5-2-6-11(17)13(10)18/h1-7H,(H3,19,20,21).
What are the key properties of 4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine?
4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine has a molecular weight of 322.17 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 82788626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).