1-[(4-chlorophenyl)methyl]-2-ethylpyrazolidin-4-amine

C12H18ClN3 — CID 20519765

IUPAC1-[(4-chlorophenyl)methyl]-2-ethylpyrazolidin-4-amine
SMILESCCN1CC(N)CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClN3/c1-2-15-8-12(14)9-16(15)7-10-3-5-11(13)6-4-10/h3-6,12H,2,7-9,14H2,1H3
InChIKeyQPTLAGDMDPVELY-UHFFFAOYSA-N
MW239.75 g/mol
LogP1.72
Rot. Bonds3

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

1-[(4-chlorophenyl)methyl]-2-ethylpyrazolidin-4-amine (PubChem CID 20519765) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-ethylpyrazolidin-4-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-ethylpyrazolidin-4-amine
PubChem CID20519765
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name1-[(4-chlorophenyl)methyl]-2-ethylpyrazolidin-4-amine
SMILESCCN1CC(N)CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClN3/c1-2-15-8-12(14)9-16(15)7-10-3-5-11(13)6-4-10/h3-6,12H,2,7-9,14H2,1H3
InChIKeyQPTLAGDMDPVELY-UHFFFAOYSA-N
XLogP1.72
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-ethylpyrazolidin-4-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-ethylpyrazolidin-4-amine (CID 20519765) is 1-[(4-chlorophenyl)methyl]-2-ethylpyrazolidin-4-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-ethylpyrazolidin-4-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-ethylpyrazolidin-4-amine is CCN1CC(N)CN1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-ethylpyrazolidin-4-amine?
The InChIKey is QPTLAGDMDPVELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-2-15-8-12(14)9-16(15)7-10-3-5-11(13)6-4-10/h3-6,12H,2,7-9,14H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-ethylpyrazolidin-4-amine?
1-[(4-chlorophenyl)methyl]-2-ethylpyrazolidin-4-amine has a molecular weight of 239.75 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-ethylpyrazolidin-4-amine is sourced from PubChem (CID 20519765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).