5-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrazole-3,4-diamine

C16H14Cl2N4 — CID 23298724

IUPAC5-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrazole-3,4-diamine
SMILESNc1nn(Cc2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1N
InChIInChI=1S/C16H14Cl2N4/c17-12-5-1-10(2-6-12)9-22-15(14(19)16(20)21-22)11-3-7-13(18)8-4-11/h1-8H,9,19H2,(H2,20,21)
InChIKeyRFDKXODHDRRUPX-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.07
Rot. Bonds3

About 5-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrazole-3,4-diamine

5-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrazole-3,4-diamine (PubChem CID 23298724) has the molecular formula C16H14Cl2N4 and a molecular weight of 333.22 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrazole-3,4-diamine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrazole-3,4-diamine
PubChem CID23298724
Molecular FormulaC16H14Cl2N4
Molecular Weight333.22 g/mol
Exact Mass332.06
IUPAC Name5-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrazole-3,4-diamine
SMILESNc1nn(Cc2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1N
InChIInChI=1S/C16H14Cl2N4/c17-12-5-1-10(2-6-12)9-22-15(14(19)16(20)21-22)11-3-7-13(18)8-4-11/h1-8H,9,19H2,(H2,20,21)
InChIKeyRFDKXODHDRRUPX-UHFFFAOYSA-N
XLogP4.07
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrazole-3,4-diamine?
The IUPAC name of 5-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrazole-3,4-diamine (CID 23298724) is 5-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrazole-3,4-diamine.
What is the SMILES notation for 5-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrazole-3,4-diamine?
The canonical SMILES for 5-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrazole-3,4-diamine is Nc1nn(Cc2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1N.
What is the InChIKey of 5-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrazole-3,4-diamine?
The InChIKey is RFDKXODHDRRUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4/c17-12-5-1-10(2-6-12)9-22-15(14(19)16(20)21-22)11-3-7-13(18)8-4-11/h1-8H,9,19H2,(H2,20,21).
What are the key properties of 5-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrazole-3,4-diamine?
5-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrazole-3,4-diamine has a molecular weight of 333.22 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrazole-3,4-diamine is sourced from PubChem (CID 23298724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).