3-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine

C18H20ClN5 — CID 51086144

IUPAC3-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ncccc1CNCc1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClN5/c1-23(2)18-15(4-3-9-21-18)12-20-10-14-11-22-24(13-14)17-7-5-16(19)6-8-17/h3-9,11,13,20H,10,12H2,1-2H3
InChIKeySGGBWSOFARUOLJ-UHFFFAOYSA-N
MW341.85 g/mol
LogP3.28
Rot. Bonds6

About 3-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine

3-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine (PubChem CID 51086144) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is 3-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
PubChem CID51086144
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC Name3-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ncccc1CNCc1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClN5/c1-23(2)18-15(4-3-9-21-18)12-20-10-14-11-22-24(13-14)17-7-5-16(19)6-8-17/h3-9,11,13,20H,10,12H2,1-2H3
InChIKeySGGBWSOFARUOLJ-UHFFFAOYSA-N
XLogP3.28
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine
CID 56814861
(1S)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-ylethanamine
CID 94193067
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-2-thiophen-2-ylpropan-2-ol
CID 111440570
N',N'-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 16773449
4-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 111469646
N-[(4-methyl-3-pyridinyl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine
CID 114954910
3-[(2,2-dimethylpropylamino)methyl]-N,N-dimethylpyridin-2-amine
CID 115607162
4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoyl-ethylamino]methyl]-N,N-dimethylbenzamide
CID 86970424
2-[1-(4-chlorophenyl)pyrazol-4-yl]acetonitrile
CID 105471879
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111581066
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[2-[4-(dimethylamino)phenyl]ethyl]urea
CID 86969964
1-[(4-chlorophenyl)methyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1,2-dimethylguanidine;hydroiodide
CID 111293586

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 3-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine (CID 51086144) is 3-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 3-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 3-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine is CN(C)c1ncccc1CNCc1cnn(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is SGGBWSOFARUOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5/c1-23(2)18-15(4-3-9-21-18)12-20-10-14-11-22-24(13-14)17-7-5-16(19)6-8-17/h3-9,11,13,20H,10,12H2,1-2H3.
What are the key properties of 3-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine?
3-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 341.85 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 51086144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).