2,5-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride

C15H22ClN5 — CID 120906422

IUPAC2,5-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
SMILESCC1CN(Cc2cc(-c3cccnc3)n[nH]2)C(C)CN1.Cl
InChIInChI=1S/C15H21N5.ClH/c1-11-9-20(12(2)7-17-11)10-14-6-15(19-18-14)13-4-3-5-16-8-13;/h3-6,8,11-12,17H,7,9-10H2,1-2H3,(H,18,19);1H
InChIKeyPNMCQDAURQVZFX-UHFFFAOYSA-N
MW307.83 g/mol
LogP2.08
Rot. Bonds3

About 2,5-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride

2,5-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride (PubChem CID 120906422) has the molecular formula C15H22ClN5 and a molecular weight of 307.83 g/mol. Its IUPAC name is 2,5-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
PubChem CID120906422
Molecular FormulaC15H22ClN5
Molecular Weight307.83 g/mol
Exact Mass307.16
IUPAC Name2,5-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
SMILESCC1CN(Cc2cc(-c3cccnc3)n[nH]2)C(C)CN1.Cl
InChIInChI=1S/C15H21N5.ClH/c1-11-9-20(12(2)7-17-11)10-14-6-15(19-18-14)13-4-3-5-16-8-13;/h3-6,8,11-12,17H,7,9-10H2,1-2H3,(H,18,19);1H
InChIKeyPNMCQDAURQVZFX-UHFFFAOYSA-N
XLogP2.08
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,5-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]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 2,5-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride?
The IUPAC name of 2,5-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride (CID 120906422) is 2,5-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 2,5-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 2,5-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride is CC1CN(Cc2cc(-c3cccnc3)n[nH]2)C(C)CN1.Cl.
What is the InChIKey of 2,5-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride?
The InChIKey is PNMCQDAURQVZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5.ClH/c1-11-9-20(12(2)7-17-11)10-14-6-15(19-18-14)13-4-3-5-16-8-13;/h3-6,8,11-12,17H,7,9-10H2,1-2H3,(H,18,19);1H.
What are the key properties of 2,5-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride?
2,5-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride has a molecular weight of 307.83 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 120906422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).