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

C15H22ClN5 — CID 120833599

IUPAC1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
SMILESCc1nn(-c2ccccn2)c(C)c1CN1CCNCC1.Cl
InChIInChI=1S/C15H21N5.ClH/c1-12-14(11-19-9-7-16-8-10-19)13(2)20(18-12)15-5-3-4-6-17-15;/h3-6,16H,7-11H2,1-2H3;1H
InChIKeyDQUNKQOSTOSKRE-UHFFFAOYSA-N
MW307.83 g/mol
LogP1.71
Rot. Bonds3

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

1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride (PubChem CID 120833599) has the molecular formula C15H22ClN5 and a molecular weight of 307.83 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
PubChem CID120833599
Molecular FormulaC15H22ClN5
Molecular Weight307.83 g/mol
Exact Mass307.16
IUPAC Name1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
SMILESCc1nn(-c2ccccn2)c(C)c1CN1CCNCC1.Cl
InChIInChI=1S/C15H21N5.ClH/c1-12-14(11-19-9-7-16-8-10-19)13(2)20(18-12)15-5-3-4-6-17-15;/h3-6,16H,7-11H2,1-2H3;1H
InChIKeyDQUNKQOSTOSKRE-UHFFFAOYSA-N
XLogP1.71
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
2-[1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843469
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]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909142
[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
CID 120909143
[(3R,4R)-1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120846631
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
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
1-[(4-chlorophenyl)methyl]-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine
CID 90508059
ethane;1-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 171786933

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride (CID 120833599) is 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride is Cc1nn(-c2ccccn2)c(C)c1CN1CCNCC1.Cl.
What is the InChIKey of 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride?
The InChIKey is DQUNKQOSTOSKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5.ClH/c1-12-14(11-19-9-7-16-8-10-19)13(2)20(18-12)15-5-3-4-6-17-15;/h3-6,16H,7-11H2,1-2H3;1H.
What are the key properties of 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride?
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride has a molecular weight of 307.83 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 120833599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).