2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride

C17H24Cl2N4 — CID 120780194

IUPAC2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride
SMILESCCCn1cc(CN2CCNCC2c2cccc(Cl)c2)cn1.Cl
InChIInChI=1S/C17H23ClN4.ClH/c1-2-7-22-13-14(10-20-22)12-21-8-6-19-11-17(21)15-4-3-5-16(18)9-15;/h3-5,9-10,13,17,19H,2,6-8,11-12H2,1H3;1H
InChIKeyRYMAHNMMRQQWDZ-UHFFFAOYSA-N
MW355.31 g/mol
LogP3.51
Rot. Bonds5

About 2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride

2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride (PubChem CID 120780194) has the molecular formula C17H24Cl2N4 and a molecular weight of 355.31 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride
PubChem CID120780194
Molecular FormulaC17H24Cl2N4
Molecular Weight355.31 g/mol
Exact Mass354.14
IUPAC Name2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride
SMILESCCCn1cc(CN2CCNCC2c2cccc(Cl)c2)cn1.Cl
InChIInChI=1S/C17H23ClN4.ClH/c1-2-7-22-13-14(10-20-22)12-21-8-6-19-11-17(21)15-4-3-5-16(18)9-15;/h3-5,9-10,13,17,19H,2,6-8,11-12H2,1H3;1H
InChIKeyRYMAHNMMRQQWDZ-UHFFFAOYSA-N
XLogP3.51
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-1-[(1-propylpyrazol-4-yl)methyl]piperazine
CID 110109099
2-(3-chlorophenyl)-1-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine
CID 120780133
1-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910214
2-(3-fluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine;hydrochloride
CID 120768669
2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120780146
2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 120780051
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine;hydrochloride
CID 120780080
2-(3-chlorophenyl)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120780200
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 120770952
2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120780185

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride (CID 120780194) is 2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride is CCCn1cc(CN2CCNCC2c2cccc(Cl)c2)cn1.Cl.
What is the InChIKey of 2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride?
The InChIKey is RYMAHNMMRQQWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4.ClH/c1-2-7-22-13-14(10-20-22)12-21-8-6-19-11-17(21)15-4-3-5-16(18)9-15;/h3-5,9-10,13,17,19H,2,6-8,11-12H2,1H3;1H.
What are the key properties of 2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride?
2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride has a molecular weight of 355.31 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 120780194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).