2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride

C14H18Cl2N4 — CID 120780214

IUPAC2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
SMILESCl.Clc1cccc(C2CNCCN2Cc2ccn[nH]2)c1
InChIInChI=1S/C14H17ClN4.ClH/c15-12-3-1-2-11(8-12)14-9-16-6-7-19(14)10-13-4-5-17-18-13;/h1-5,8,14,16H,6-7,9-10H2,(H,17,18);1H
InChIKeyXVDAZQPNXFBDBM-UHFFFAOYSA-N
MW313.23 g/mol
LogP2.63
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride

2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride (PubChem CID 120780214) has the molecular formula C14H18Cl2N4 and a molecular weight of 313.23 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
PubChem CID120780214
Molecular FormulaC14H18Cl2N4
Molecular Weight313.23 g/mol
Exact Mass312.09
IUPAC Name2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
SMILESCl.Clc1cccc(C2CNCCN2Cc2ccn[nH]2)c1
InChIInChI=1S/C14H17ClN4.ClH/c15-12-3-1-2-11(8-12)14-9-16-6-7-19(14)10-13-4-5-17-18-13;/h1-5,8,14,16H,6-7,9-10H2,(H,17,18);1H
InChIKeyXVDAZQPNXFBDBM-UHFFFAOYSA-N
XLogP2.63
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-pyrazol-5-ylmethyl)-2-pyridin-4-ylpiperazine
CID 120910371
2-(3-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
CID 120780238
2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120780185
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112
2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120780146
2-(3-chlorophenyl)-1-prop-2-enylpiperazine
CID 120770958
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 120770952
2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 120780051
4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride
CID 120780162
1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride
CID 120771105
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 120780059

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride (CID 120780214) is 2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride is Cl.Clc1cccc(C2CNCCN2Cc2ccn[nH]2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride?
The InChIKey is XVDAZQPNXFBDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4.ClH/c15-12-3-1-2-11(8-12)14-9-16-6-7-19(14)10-13-4-5-17-18-13;/h1-5,8,14,16H,6-7,9-10H2,(H,17,18);1H.
What are the key properties of 2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride?
2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride has a molecular weight of 313.23 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride is sourced from PubChem (CID 120780214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).