2-[1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride

C19H30ClN5 — CID 120843469

IUPAC2-[1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
SMILESCNCCC1CCN(Cc2c(C)nn(-c3ccccn3)c2C)CC1.Cl
InChIInChI=1S/C19H29N5.ClH/c1-15-18(14-23-12-8-17(9-13-23)7-11-20-3)16(2)24(22-15)19-6-4-5-10-21-19;/h4-6,10,17,20H,7-9,11-14H2,1-3H3;1H
InChIKeyPNHQEOUXIUGYQD-UHFFFAOYSA-N
MW363.94 g/mol
LogP3.13
Rot. Bonds6

About 2-[1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride

2-[1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride (PubChem CID 120843469) has the molecular formula C19H30ClN5 and a molecular weight of 363.94 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
PubChem CID120843469
Molecular FormulaC19H30ClN5
Molecular Weight363.94 g/mol
Exact Mass363.22
IUPAC Name2-[1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
SMILESCNCCC1CCN(Cc2c(C)nn(-c3ccccn3)c2C)CC1.Cl
InChIInChI=1S/C19H29N5.ClH/c1-15-18(14-23-12-8-17(9-13-23)7-11-20-3)16(2)24(22-15)19-6-4-5-10-21-19;/h4-6,10,17,20H,7-9,11-14H2,1-3H3;1H
InChIKeyPNHQEOUXIUGYQD-UHFFFAOYSA-N
XLogP3.13
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.94
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride with MolForge

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Related Compounds

1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-N-methylpyrrolidin-3-amine
CID 120834049
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120833599
[1-[3-[4-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol
CID 59438247
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909142
(3aS,6aR)-5-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 120846063
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine
CID 120909143
[(3R,4R)-1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120846631
1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine
CID 90508074
4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962758
N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-phenylpropanamide
CID 91629292
N-methyl-2-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120843546
N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
CID 91629332

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride?
The IUPAC name of 2-[1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride (CID 120843469) is 2-[1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-[1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-[1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride is CNCCC1CCN(Cc2c(C)nn(-c3ccccn3)c2C)CC1.Cl.
What is the InChIKey of 2-[1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride?
The InChIKey is PNHQEOUXIUGYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5.ClH/c1-15-18(14-23-12-8-17(9-13-23)7-11-20-3)16(2)24(22-15)19-6-4-5-10-21-19;/h4-6,10,17,20H,7-9,11-14H2,1-3H3;1H.
What are the key properties of 2-[1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride?
2-[1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride has a molecular weight of 363.94 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride is sourced from PubChem (CID 120843469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).