2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride

C15H21ClN4O — CID 120767431

IUPAC2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1ccn[nH]1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-20-15-5-3-2-4-13(15)14-10-16-8-9-19(14)11-12-6-7-17-18-12;/h2-7,14,16H,8-11H2,1H3,(H,17,18);1H
InChIKeyFPVJBFRTKDEIMJ-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.99
Rot. Bonds4

About 2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride

2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride (PubChem CID 120767431) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
PubChem CID120767431
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1ccn[nH]1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-20-15-5-3-2-4-13(15)14-10-16-8-9-19(14)11-12-6-7-17-18-12;/h2-7,14,16H,8-11H2,1H3,(H,17,18);1H
InChIKeyFPVJBFRTKDEIMJ-UHFFFAOYSA-N
XLogP1.99
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120733408
2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride
CID 120767521
2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine;hydrochloride
CID 120767617
2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 124943474
2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine
CID 120767618
1-(2-methoxyethyl)-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753905
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120767619
2-(2-methoxyphenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120767246
1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine
CID 120910371
1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753939
2-(2-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 110109239
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767381

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride?
The IUPAC name of 2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride (CID 120767431) is 2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride is COc1ccccc1C1CNCCN1Cc1ccn[nH]1.Cl.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride?
The InChIKey is FPVJBFRTKDEIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.ClH/c1-20-15-5-3-2-4-13(15)14-10-16-8-9-19(14)11-12-6-7-17-18-12;/h2-7,14,16H,8-11H2,1H3,(H,17,18);1H.
What are the key properties of 2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride?
2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride is sourced from PubChem (CID 120767431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).