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

C18H26Cl2N4 — CID 120846864

IUPAC2-(3-chlorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
SMILESCc1nn(C(C)C)cc1CN1CCNCC1c1cccc(Cl)c1.Cl
InChIInChI=1S/C18H25ClN4.ClH/c1-13(2)23-12-16(14(3)21-23)11-22-8-7-20-10-18(22)15-5-4-6-17(19)9-15;/h4-6,9,12-13,18,20H,7-8,10-11H2,1-3H3;1H
InChIKeyMWGIFXNZGPBYAB-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.99
Rot. Bonds4

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

2-(3-chlorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride (PubChem CID 120846864) has the molecular formula C18H26Cl2N4 and a molecular weight of 369.34 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
PubChem CID120846864
Molecular FormulaC18H26Cl2N4
Molecular Weight369.34 g/mol
Exact Mass368.15
IUPAC Name2-(3-chlorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
SMILESCc1nn(C(C)C)cc1CN1CCNCC1c1cccc(Cl)c1.Cl
InChIInChI=1S/C18H25ClN4.ClH/c1-13(2)23-12-16(14(3)21-23)11-22-8-7-20-10-18(22)15-5-4-6-17(19)9-15;/h4-6,9,12-13,18,20H,7-8,10-11H2,1-3H3;1H
InChIKeyMWGIFXNZGPBYAB-UHFFFAOYSA-N
XLogP3.99
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120780185
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 120780059
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-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 120780051
2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120780214
2-(3-chlorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120780202
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine;hydrochloride
CID 120780080
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol
CID 120780083
2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120780194
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride (CID 120846864) is 2-(3-chlorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride is Cc1nn(C(C)C)cc1CN1CCNCC1c1cccc(Cl)c1.Cl.
What is the InChIKey of 2-(3-chlorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride?
The InChIKey is MWGIFXNZGPBYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4.ClH/c1-13(2)23-12-16(14(3)21-23)11-22-8-7-20-10-18(22)15-5-4-6-17(19)9-15;/h4-6,9,12-13,18,20H,7-8,10-11H2,1-3H3;1H.
What are the key properties of 2-(3-chlorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride?
2-(3-chlorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride has a molecular weight of 369.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 120846864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).