1-[3-[1-(5-chloro-2-pyridinyl)-5-methylpyrazol-4-yl]prop-2-enyl]-4-(3,5-difluorophenyl)piperazine;hydrochloride

C22H23Cl2F2N5 — CID 70027176

IUPAC1-[3-[1-(5-chloro-2-pyridinyl)-5-methylpyrazol-4-yl]prop-2-enyl]-4-(3,5-difluorophenyl)piperazine;hydrochloride
SMILESCc1c(C=CCN2CCN(c3cc(F)cc(F)c3)CC2)cnn1-c1ccc(Cl)cn1.Cl
InChIInChI=1S/C22H22ClF2N5.ClH/c1-16-17(14-27-30(16)22-5-4-18(23)15-26-22)3-2-6-28-7-9-29(10-8-28)21-12-19(24)11-20(25)13-21;/h2-5,11-15H,6-10H2,1H3;1H
InChIKeyMBBWLOGLKLUMME-UHFFFAOYSA-N
MW466.36 g/mol
LogP4.76
Rot. Bonds5

About 1-[3-[1-(5-chloro-2-pyridinyl)-5-methylpyrazol-4-yl]prop-2-enyl]-4-(3,5-difluorophenyl)piperazine;hydrochloride

1-[3-[1-(5-chloro-2-pyridinyl)-5-methylpyrazol-4-yl]prop-2-enyl]-4-(3,5-difluorophenyl)piperazine;hydrochloride (PubChem CID 70027176) has the molecular formula C22H23Cl2F2N5 and a molecular weight of 466.36 g/mol. Its IUPAC name is 1-[3-[1-(5-chloro-2-pyridinyl)-5-methylpyrazol-4-yl]prop-2-enyl]-4-(3,5-difluorophenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[3-[1-(5-chloro-2-pyridinyl)-5-methylpyrazol-4-yl]prop-2-enyl]-4-(3,5-difluorophenyl)piperazine;hydrochloride
PubChem CID70027176
Molecular FormulaC22H23Cl2F2N5
Molecular Weight466.36 g/mol
Exact Mass465.13
IUPAC Name1-[3-[1-(5-chloro-2-pyridinyl)-5-methylpyrazol-4-yl]prop-2-enyl]-4-(3,5-difluorophenyl)piperazine;hydrochloride
SMILESCc1c(C=CCN2CCN(c3cc(F)cc(F)c3)CC2)cnn1-c1ccc(Cl)cn1.Cl
InChIInChI=1S/C22H22ClF2N5.ClH/c1-16-17(14-27-30(16)22-5-4-18(23)15-26-22)3-2-6-28-7-9-29(10-8-28)21-12-19(24)11-20(25)13-21;/h2-5,11-15H,6-10H2,1H3;1H
InChIKeyMBBWLOGLKLUMME-UHFFFAOYSA-N
XLogP4.76
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.36
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[1-(5-chloro-2-pyridinyl)-5-methylpyrazol-4-yl]prop-2-enyl]-4-(3,5-difluorophenyl)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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(5-chloro-2-pyridinyl)-5-methylpyrazol-4-yl]prop-2-enyl]-4-(3,5-difluorophenyl)piperazine;hydrochloride?
The IUPAC name of 1-[3-[1-(5-chloro-2-pyridinyl)-5-methylpyrazol-4-yl]prop-2-enyl]-4-(3,5-difluorophenyl)piperazine;hydrochloride (CID 70027176) is 1-[3-[1-(5-chloro-2-pyridinyl)-5-methylpyrazol-4-yl]prop-2-enyl]-4-(3,5-difluorophenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[3-[1-(5-chloro-2-pyridinyl)-5-methylpyrazol-4-yl]prop-2-enyl]-4-(3,5-difluorophenyl)piperazine;hydrochloride?
The canonical SMILES for 1-[3-[1-(5-chloro-2-pyridinyl)-5-methylpyrazol-4-yl]prop-2-enyl]-4-(3,5-difluorophenyl)piperazine;hydrochloride is Cc1c(C=CCN2CCN(c3cc(F)cc(F)c3)CC2)cnn1-c1ccc(Cl)cn1.Cl.
What is the InChIKey of 1-[3-[1-(5-chloro-2-pyridinyl)-5-methylpyrazol-4-yl]prop-2-enyl]-4-(3,5-difluorophenyl)piperazine;hydrochloride?
The InChIKey is MBBWLOGLKLUMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClF2N5.ClH/c1-16-17(14-27-30(16)22-5-4-18(23)15-26-22)3-2-6-28-7-9-29(10-8-28)21-12-19(24)11-20(25)13-21;/h2-5,11-15H,6-10H2,1H3;1H.
What are the key properties of 1-[3-[1-(5-chloro-2-pyridinyl)-5-methylpyrazol-4-yl]prop-2-enyl]-4-(3,5-difluorophenyl)piperazine;hydrochloride?
1-[3-[1-(5-chloro-2-pyridinyl)-5-methylpyrazol-4-yl]prop-2-enyl]-4-(3,5-difluorophenyl)piperazine;hydrochloride has a molecular weight of 466.36 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(5-chloro-2-pyridinyl)-5-methylpyrazol-4-yl]prop-2-enyl]-4-(3,5-difluorophenyl)piperazine;hydrochloride is sourced from PubChem (CID 70027176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).