3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrazol-4-amine

C16H13Cl2N3 — CID 83203348

IUPAC3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrazol-4-amine
SMILESNc1cn(Cc2ccccc2Cl)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl2N3/c17-13-7-5-11(6-8-13)16-15(19)10-21(20-16)9-12-3-1-2-4-14(12)18/h1-8,10H,9,19H2
InChIKeyCLWRCBATZHFBLQ-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.49
Rot. Bonds3

About 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrazol-4-amine

3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrazol-4-amine (PubChem CID 83203348) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrazol-4-amine
PubChem CID83203348
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC Name3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrazol-4-amine
SMILESNc1cn(Cc2ccccc2Cl)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl2N3/c17-13-7-5-11(6-8-13)16-15(19)10-21(20-16)9-12-3-1-2-4-14(12)18/h1-8,10H,9,19H2
InChIKeyCLWRCBATZHFBLQ-UHFFFAOYSA-N
XLogP4.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrazol-4-amine?
The IUPAC name of 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrazol-4-amine (CID 83203348) is 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrazol-4-amine is Nc1cn(Cc2ccccc2Cl)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrazol-4-amine?
The InChIKey is CLWRCBATZHFBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c17-13-7-5-11(6-8-13)16-15(19)10-21(20-16)9-12-3-1-2-4-14(12)18/h1-8,10H,9,19H2.
What are the key properties of 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrazol-4-amine?
3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrazol-4-amine has a molecular weight of 318.21 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 83203348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).