1-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]piperazine

C13H15ClN4 — CID 117209858

IUPAC1-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]piperazine
SMILESClc1cccc(-c2[nH]ncc2N2CCNCC2)c1
InChIInChI=1S/C13H15ClN4/c14-11-3-1-2-10(8-11)13-12(9-16-17-13)18-6-4-15-5-7-18/h1-3,8-9,15H,4-7H2,(H,16,17)
InChIKeyZRPDKOIUHULZCY-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.14
Rot. Bonds2

About 1-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]piperazine

1-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]piperazine (PubChem CID 117209858) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 1-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]piperazine.

Molecular Properties

Compound Name1-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]piperazine
PubChem CID117209858
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name1-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]piperazine
SMILESClc1cccc(-c2[nH]ncc2N2CCNCC2)c1
InChIInChI=1S/C13H15ClN4/c14-11-3-1-2-10(8-11)13-12(9-16-17-13)18-6-4-15-5-7-18/h1-3,8-9,15H,4-7H2,(H,16,17)
InChIKeyZRPDKOIUHULZCY-UHFFFAOYSA-N
XLogP2.14
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-(3-chlorobenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 21098478
1-(3-phenyl-1H-pyrazol-4-yl)piperazine
CID 59511191
1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209857
1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209911
1-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209912
1-[5-(4-methylphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209962
1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209964
1-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209965
1-(5-phenyl-1H-pyrazol-4-yl)-1,4-diazepane
CID 142601325
1-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-1,4-diazepane
CID 142601328
5-HT7R antagonist 1 free base
CID 142601329
1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1,4-diazepane
CID 142601333

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]piperazine?
The IUPAC name of 1-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]piperazine (CID 117209858) is 1-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]piperazine.
What is the SMILES notation for 1-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]piperazine?
The canonical SMILES for 1-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]piperazine is Clc1cccc(-c2[nH]ncc2N2CCNCC2)c1.
What is the InChIKey of 1-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]piperazine?
The InChIKey is ZRPDKOIUHULZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c14-11-3-1-2-10(8-11)13-12(9-16-17-13)18-6-4-15-5-7-18/h1-3,8-9,15H,4-7H2,(H,16,17).
What are the key properties of 1-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]piperazine?
1-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]piperazine has a molecular weight of 262.74 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]piperazine is sourced from PubChem (CID 117209858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).