1-(2-chlorophenyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine;dihydrochloride

C16H23Cl3N4 — CID 71586941

IUPAC1-(2-chlorophenyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.Cn1cc(CCN2CCN(c3ccccc3Cl)CC2)cn1
InChIInChI=1S/C16H21ClN4.2ClH/c1-19-13-14(12-18-19)6-7-20-8-10-21(11-9-20)16-5-3-2-4-15(16)17;;/h2-5,12-13H,6-11H2,1H3;2*1H
InChIKeyGRZZSDPYNSEBNT-UHFFFAOYSA-N
MW377.75 g/mol
LogP3.28
Rot. Bonds4

About 1-(2-chlorophenyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine;dihydrochloride

1-(2-chlorophenyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine;dihydrochloride (PubChem CID 71586941) has the molecular formula C16H23Cl3N4 and a molecular weight of 377.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine;dihydrochloride
PubChem CID71586941
Molecular FormulaC16H23Cl3N4
Molecular Weight377.75 g/mol
Exact Mass376.10
IUPAC Name1-(2-chlorophenyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.Cn1cc(CCN2CCN(c3ccccc3Cl)CC2)cn1
InChIInChI=1S/C16H21ClN4.2ClH/c1-19-13-14(12-18-19)6-7-20-8-10-21(11-9-20)16-5-3-2-4-15(16)17;;/h2-5,12-13H,6-11H2,1H3;2*1H
InChIKeyGRZZSDPYNSEBNT-UHFFFAOYSA-N
XLogP3.28
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.75
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[2-(1-methylpyrazol-4-yl)ethyl]piperazin-1-yl]pyridin-2-amine
CID 103003357
4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine
CID 60842133
4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
CID 103015270
3-[4-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 103000108
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
CID 3088491
N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline
CID 28647376
2-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-dihydroisoindol-4-amine
CID 80686573
4-[4-(2-chlorophenyl)piperazin-1-yl]butanenitrile
CID 43086163
1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carbothioamide
CID 103002659
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]butan-2-amine
CID 60854667
2-[4-[2-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]-6-fluorobenzonitrile
CID 122133310
1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 103815442

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-(2-chlorophenyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine;dihydrochloride (CID 71586941) is 1-(2-chlorophenyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine;dihydrochloride is Cl.Cl.Cn1cc(CCN2CCN(c3ccccc3Cl)CC2)cn1.
What is the InChIKey of 1-(2-chlorophenyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine;dihydrochloride?
The InChIKey is GRZZSDPYNSEBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4.2ClH/c1-19-13-14(12-18-19)6-7-20-8-10-21(11-9-20)16-5-3-2-4-15(16)17;;/h2-5,12-13H,6-11H2,1H3;2*1H.
What are the key properties of 1-(2-chlorophenyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine;dihydrochloride?
1-(2-chlorophenyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine;dihydrochloride has a molecular weight of 377.75 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 71586941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).