2-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyrazine;hydrochloride

C21H24Cl2N6 — CID 70027768

IUPAC2-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyrazine;hydrochloride
SMILESCc1c(C=CCN2CCN(c3cccc(Cl)c3)CC2)cnn1-c1cnccn1.Cl
InChIInChI=1S/C21H23ClN6.ClH/c1-17-18(15-25-28(17)21-16-23-7-8-24-21)4-3-9-26-10-12-27(13-11-26)20-6-2-5-19(22)14-20;/h2-8,14-16H,9-13H2,1H3;1H
InChIKeyXTCYHDGMLJIXLL-UHFFFAOYSA-N
MW431.37 g/mol
LogP3.88
Rot. Bonds5

About 2-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyrazine;hydrochloride

2-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyrazine;hydrochloride (PubChem CID 70027768) has the molecular formula C21H24Cl2N6 and a molecular weight of 431.37 g/mol. Its IUPAC name is 2-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyrazine;hydrochloride.

Molecular Properties

Compound Name2-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyrazine;hydrochloride
PubChem CID70027768
Molecular FormulaC21H24Cl2N6
Molecular Weight431.37 g/mol
Exact Mass430.14
IUPAC Name2-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyrazine;hydrochloride
SMILESCc1c(C=CCN2CCN(c3cccc(Cl)c3)CC2)cnn1-c1cnccn1.Cl
InChIInChI=1S/C21H23ClN6.ClH/c1-17-18(15-25-28(17)21-16-23-7-8-24-21)4-3-9-26-10-12-27(13-11-26)20-6-2-5-19(22)14-20;/h2-8,14-16H,9-13H2,1H3;1H
InChIKeyXTCYHDGMLJIXLL-UHFFFAOYSA-N
XLogP3.88
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(E)-3-[1-(5-chloro-2-pyridinyl)-5-methylpyrazol-4-yl]prop-2-enyl]-4-(3,5-dichlorophenyl)piperazine;hydrochloride
CID 18545339
1-[3-[1-(5-chloro-2-pyridinyl)-5-methylpyrazol-4-yl]prop-2-enyl]-4-(3,5-difluorophenyl)piperazine;hydrochloride
CID 70027176
N-[3-[4-[(E)-3-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)prop-2-enyl]piperazin-1-yl]phenyl]acetamide
CID 10916745
2-[4-[(E)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]-4,6-dimethylpyrimidine
CID 22097297
4-N,4-N-dimethyl-6-[5-methyl-4-[3-(4-pyridin-3-ylpiperazin-1-yl)prop-1-enyl]pyrazol-1-yl]pyrimidine-2,4-diamine
CID 70030458
2-[4-[(E)-3-[4-(3-chlorophenyl)piperazin-1-yl]prop-1-enyl]-3-methylpyrazol-1-yl]pyrimidine
CID 11430365
1-[(E)-3-[1-(3,5-dichloro-4-pyridinyl)-5-methylpyrazol-4-yl]prop-2-enyl]-4-(3,5-difluorophenyl)piperazine;hydrochloride
CID 18545336
2-[4-[(E)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyrimidine;hydrochloride
CID 22097378
2-[4-[(E)-3-[4-(3,5-difluorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]-3-methylpyrazine;hydrochloride
CID 158723413
6-[4-[(E)-3-[4-(3-chloro-5-fluorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18545439
6-[4-[(E)-3-[4-(3-chloro-5-fluorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]-1,3,5-triazine-2,4-diamine
CID 18545440
methyl 3-[4-[3-[1-(2-aminopyrimidin-4-yl)-5-methylpyrazol-4-yl]prop-2-enyl]piperazin-1-yl]-5-fluorobenzoate;hydrochloride
CID 70027775

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyrazine;hydrochloride?
The IUPAC name of 2-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyrazine;hydrochloride (CID 70027768) is 2-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyrazine;hydrochloride.
What is the SMILES notation for 2-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyrazine;hydrochloride?
The canonical SMILES for 2-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyrazine;hydrochloride is Cc1c(C=CCN2CCN(c3cccc(Cl)c3)CC2)cnn1-c1cnccn1.Cl.
What is the InChIKey of 2-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyrazine;hydrochloride?
The InChIKey is XTCYHDGMLJIXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6.ClH/c1-17-18(15-25-28(17)21-16-23-7-8-24-21)4-3-9-26-10-12-27(13-11-26)20-6-2-5-19(22)14-20;/h2-8,14-16H,9-13H2,1H3;1H.
What are the key properties of 2-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyrazine;hydrochloride?
2-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyrazine;hydrochloride has a molecular weight of 431.37 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyrazine;hydrochloride is sourced from PubChem (CID 70027768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).