1-[3-(4-chlorophenyl)pyrazolidin-4-yl]-N-(pyridin-3-ylmethyl)methanamine

C16H19ClN4 — CID 78305057

IUPAC1-[3-(4-chlorophenyl)pyrazolidin-4-yl]-N-(pyridin-3-ylmethyl)methanamine
SMILESClc1ccc(C2NNCC2CNCc2cccnc2)cc1
InChIInChI=1S/C16H19ClN4/c17-15-5-3-13(4-6-15)16-14(11-20-21-16)10-19-9-12-2-1-7-18-8-12/h1-8,14,16,19-21H,9-11H2
InChIKeyPUNPFTFBVMGTMU-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.29
Rot. Bonds5

About 1-[3-(4-chlorophenyl)pyrazolidin-4-yl]-N-(pyridin-3-ylmethyl)methanamine

1-[3-(4-chlorophenyl)pyrazolidin-4-yl]-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 78305057) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)pyrazolidin-4-yl]-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)pyrazolidin-4-yl]-N-(pyridin-3-ylmethyl)methanamine
PubChem CID78305057
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name1-[3-(4-chlorophenyl)pyrazolidin-4-yl]-N-(pyridin-3-ylmethyl)methanamine
SMILESClc1ccc(C2NNCC2CNCc2cccnc2)cc1
InChIInChI=1S/C16H19ClN4/c17-15-5-3-13(4-6-15)16-14(11-20-21-16)10-19-9-12-2-1-7-18-8-12/h1-8,14,16,19-21H,9-11H2
InChIKeyPUNPFTFBVMGTMU-UHFFFAOYSA-N
XLogP2.29
TPSA48.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol
CID 73305918
N-[(3-fluorophenyl)methyl]-1-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanamine;hydrochloride
CID 52986379
1-[3-(4-chlorophenyl)pyrazolidin-4-yl]-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine;hydrochloride
CID 52990446
N-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine
CID 54803200
1-[(2R)-piperidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 97178382
1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 79978828
N-[[3-(2,4-difluorophenyl)pyrazolidin-4-yl]methyl]-1-pyridin-3-ylpropan-2-amine
CID 75099835
N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 21233303
4-[[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961872
2-[benzyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]ethanol
CID 78214916
(7S,8R)-8-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)bicyclo[4.2.0]octan-7-amine
CID 110216283
5-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 81300399

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)pyrazolidin-4-yl]-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-[3-(4-chlorophenyl)pyrazolidin-4-yl]-N-(pyridin-3-ylmethyl)methanamine (CID 78305057) is 1-[3-(4-chlorophenyl)pyrazolidin-4-yl]-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-[3-(4-chlorophenyl)pyrazolidin-4-yl]-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-[3-(4-chlorophenyl)pyrazolidin-4-yl]-N-(pyridin-3-ylmethyl)methanamine is Clc1ccc(C2NNCC2CNCc2cccnc2)cc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)pyrazolidin-4-yl]-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is PUNPFTFBVMGTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c17-15-5-3-13(4-6-15)16-14(11-20-21-16)10-19-9-12-2-1-7-18-8-12/h1-8,14,16,19-21H,9-11H2.
What are the key properties of 1-[3-(4-chlorophenyl)pyrazolidin-4-yl]-N-(pyridin-3-ylmethyl)methanamine?
1-[3-(4-chlorophenyl)pyrazolidin-4-yl]-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 302.81 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)pyrazolidin-4-yl]-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 78305057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).