N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine

C19H23ClN4 — CID 134127818

IUPACN-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine
SMILESClc1ccc(C2NNCC2CN(Cc2ccccn2)C2CC2)cc1
InChIInChI=1S/C19H23ClN4/c20-16-6-4-14(5-7-16)19-15(11-22-23-19)12-24(18-8-9-18)13-17-3-1-2-10-21-17/h1-7,10,15,18-19,22-23H,8-9,11-13H2
InChIKeyUZOCIVWJJLXAIK-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.16
Rot. Bonds6

About N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine

N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine (PubChem CID 134127818) has the molecular formula C19H23ClN4 and a molecular weight of 342.87 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine
PubChem CID134127818
Molecular FormulaC19H23ClN4
Molecular Weight342.87 g/mol
Exact Mass342.16
IUPAC NameN-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine
SMILESClc1ccc(C2NNCC2CN(Cc2ccccn2)C2CC2)cc1
InChIInChI=1S/C19H23ClN4/c20-16-6-4-14(5-7-16)19-15(11-22-23-19)12-24(18-8-9-18)13-17-3-1-2-10-21-17/h1-7,10,15,18-19,22-23H,8-9,11-13H2
InChIKeyUZOCIVWJJLXAIK-UHFFFAOYSA-N
XLogP3.16
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine
CID 46967234
2-[benzyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]ethanol
CID 78214916
N'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine
CID 74552940
2-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol
CID 73305918
N-ethyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 60806467
N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 43137570
6-chloro-3-[[cyclopropyl(pyridin-2-ylmethyl)amino]methyl]-1,3-benzoxazol-2-one
CID 90675982
N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine
CID 99949243
N-benzyl-N-(pyridin-2-ylmethyl)cyclohexanamine
CID 71881409
(3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 69063197
1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-(quinoxalin-2-ylmethyl)methanamine
CID 75258392
N-prop-2-enyl-N-(pyridin-2-ylmethyl)piperidin-3-amine;dihydrochloride
CID 154885927

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine (CID 134127818) is N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine is Clc1ccc(C2NNCC2CN(Cc2ccccn2)C2CC2)cc1.
What is the InChIKey of N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine?
The InChIKey is UZOCIVWJJLXAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4/c20-16-6-4-14(5-7-16)19-15(11-22-23-19)12-24(18-8-9-18)13-17-3-1-2-10-21-17/h1-7,10,15,18-19,22-23H,8-9,11-13H2.
What are the key properties of N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine?
N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine has a molecular weight of 342.87 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 134127818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).