5-(3-chlorophenyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine

C15H10Cl3N3 — CID 63524514

IUPAC5-(3-chlorophenyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cccc(Cl)c2)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl3N3/c16-10-3-1-2-9(6-10)14-13(15(19)21-20-14)8-4-5-11(17)12(18)7-8/h1-7H,(H3,19,20,21)
InChIKeyNLWKLSHWCYXKSQ-UHFFFAOYSA-N
MW338.63 g/mol
LogP5.29
Rot. Bonds2

About 5-(3-chlorophenyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine

5-(3-chlorophenyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine (PubChem CID 63524514) has the molecular formula C15H10Cl3N3 and a molecular weight of 338.63 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine
PubChem CID63524514
Molecular FormulaC15H10Cl3N3
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC Name5-(3-chlorophenyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cccc(Cl)c2)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl3N3/c16-10-3-1-2-9(6-10)14-13(15(19)21-20-14)8-4-5-11(17)12(18)7-8/h1-7H,(H3,19,20,21)
InChIKeyNLWKLSHWCYXKSQ-UHFFFAOYSA-N
XLogP5.29
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.63
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-chlorophenyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine (CID 63524514) is 5-(3-chlorophenyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-chlorophenyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2cccc(Cl)c2)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine?
The InChIKey is NLWKLSHWCYXKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N3/c16-10-3-1-2-9(6-10)14-13(15(19)21-20-14)8-4-5-11(17)12(18)7-8/h1-7H,(H3,19,20,21).
What are the key properties of 5-(3-chlorophenyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine?
5-(3-chlorophenyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine has a molecular weight of 338.63 g/mol, XLogP of 5.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 63524514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).