(3R)-3-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperazine;hydrochloride

C16H23ClN4 — CID 120845564

IUPAC(3R)-3-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperazine;hydrochloride
SMILESCc1ccccc1-n1nccc1CN1CCN[C@H](C)C1.Cl
InChIInChI=1S/C16H22N4.ClH/c1-13-5-3-4-6-16(13)20-15(7-8-18-20)12-19-10-9-17-14(2)11-19;/h3-8,14,17H,9-12H2,1-2H3;1H/t14-;/m1./s1
InChIKeyMERXKYQSQPRYDS-PFEQFJNWSA-N
MW306.84 g/mol
LogP2.40
Rot. Bonds3

About (3R)-3-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperazine;hydrochloride

(3R)-3-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperazine;hydrochloride (PubChem CID 120845564) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is (3R)-3-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperazine;hydrochloride
PubChem CID120845564
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC Name(3R)-3-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperazine;hydrochloride
SMILESCc1ccccc1-n1nccc1CN1CCN[C@H](C)C1.Cl
InChIInChI=1S/C16H22N4.ClH/c1-13-5-3-4-6-16(13)20-15(7-8-18-20)12-19-10-9-17-14(2)11-19;/h3-8,14,17H,9-12H2,1-2H3;1H/t14-;/m1./s1
InChIKeyMERXKYQSQPRYDS-PFEQFJNWSA-N
XLogP2.40
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperazine;hydrochloride
CID 120840201
N-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-amine
CID 120834087
(3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine
CID 120845954
(3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-methylpiperazine
CID 103885908
N-methyl-1-[1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methanamine
CID 120835735
2-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908194
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 71639374
(3R)-1-[(2,3-dimethylphenyl)methyl]-3-methylpiperazine
CID 96906172
1-[(2-fluoro-3-methylphenyl)methyl]-3-methylpiperazine
CID 83811096
1-benzyl-3-methylpiperazine;ethane
CID 166543639
N-(2-aminoethyl)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide
CID 120837287

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperazine;hydrochloride?
The IUPAC name of (3R)-3-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperazine;hydrochloride (CID 120845564) is (3R)-3-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperazine;hydrochloride.
What is the SMILES notation for (3R)-3-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperazine;hydrochloride?
The canonical SMILES for (3R)-3-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperazine;hydrochloride is Cc1ccccc1-n1nccc1CN1CCN[C@H](C)C1.Cl.
What is the InChIKey of (3R)-3-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperazine;hydrochloride?
The InChIKey is MERXKYQSQPRYDS-PFEQFJNWSA-N. The full InChI is InChI=1S/C16H22N4.ClH/c1-13-5-3-4-6-16(13)20-15(7-8-18-20)12-19-10-9-17-14(2)11-19;/h3-8,14,17H,9-12H2,1-2H3;1H/t14-;/m1./s1.
What are the key properties of (3R)-3-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperazine;hydrochloride?
(3R)-3-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperazine;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 120845564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).