1,2-bis[(4-chlorophenyl)methyl]pyrazolidin-4-amine

C17H19Cl2N3 — CID 20519775

IUPAC1,2-bis[(4-chlorophenyl)methyl]pyrazolidin-4-amine
SMILESNC1CN(Cc2ccc(Cl)cc2)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H19Cl2N3/c18-15-5-1-13(2-6-15)9-21-11-17(20)12-22(21)10-14-3-7-16(19)8-4-14/h1-8,17H,9-12,20H2
InChIKeyWOEOXFDPJZLQPH-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.55
Rot. Bonds4

About 1,2-bis[(4-chlorophenyl)methyl]pyrazolidin-4-amine

1,2-bis[(4-chlorophenyl)methyl]pyrazolidin-4-amine (PubChem CID 20519775) has the molecular formula C17H19Cl2N3 and a molecular weight of 336.27 g/mol. Its IUPAC name is 1,2-bis[(4-chlorophenyl)methyl]pyrazolidin-4-amine.

Molecular Properties

Compound Name1,2-bis[(4-chlorophenyl)methyl]pyrazolidin-4-amine
PubChem CID20519775
Molecular FormulaC17H19Cl2N3
Molecular Weight336.27 g/mol
Exact Mass335.10
IUPAC Name1,2-bis[(4-chlorophenyl)methyl]pyrazolidin-4-amine
SMILESNC1CN(Cc2ccc(Cl)cc2)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H19Cl2N3/c18-15-5-1-13(2-6-15)9-21-11-17(20)12-22(21)10-14-3-7-16(19)8-4-14/h1-8,17H,9-12,20H2
InChIKeyWOEOXFDPJZLQPH-UHFFFAOYSA-N
XLogP3.55
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(4-chlorophenyl)methyl]pyrazolidin-4-amine?
The IUPAC name of 1,2-bis[(4-chlorophenyl)methyl]pyrazolidin-4-amine (CID 20519775) is 1,2-bis[(4-chlorophenyl)methyl]pyrazolidin-4-amine.
What is the SMILES notation for 1,2-bis[(4-chlorophenyl)methyl]pyrazolidin-4-amine?
The canonical SMILES for 1,2-bis[(4-chlorophenyl)methyl]pyrazolidin-4-amine is NC1CN(Cc2ccc(Cl)cc2)N(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1,2-bis[(4-chlorophenyl)methyl]pyrazolidin-4-amine?
The InChIKey is WOEOXFDPJZLQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3/c18-15-5-1-13(2-6-15)9-21-11-17(20)12-22(21)10-14-3-7-16(19)8-4-14/h1-8,17H,9-12,20H2.
What are the key properties of 1,2-bis[(4-chlorophenyl)methyl]pyrazolidin-4-amine?
1,2-bis[(4-chlorophenyl)methyl]pyrazolidin-4-amine has a molecular weight of 336.27 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(4-chlorophenyl)methyl]pyrazolidin-4-amine is sourced from PubChem (CID 20519775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).