N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride

C16H19Cl3N4O — CID 119274816

IUPACN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)C1CCNCC1
InChIInChI=1S/C16H18Cl2N4O.ClH/c17-13-3-1-2-12(15(13)18)10-22-14(6-9-20-22)21-16(23)11-4-7-19-8-5-11;/h1-3,6,9,11,19H,4-5,7-8,10H2,(H,21,23);1H
InChIKeyDBCKIUADXKAVIQ-UHFFFAOYSA-N
MW389.71 g/mol
LogP3.60
Rot. Bonds4

About N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride

N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119274816) has the molecular formula C16H19Cl3N4O and a molecular weight of 389.71 g/mol. Its IUPAC name is N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride
PubChem CID119274816
Molecular FormulaC16H19Cl3N4O
Molecular Weight389.71 g/mol
Exact Mass388.06
IUPAC NameN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)C1CCNCC1
InChIInChI=1S/C16H18Cl2N4O.ClH/c17-13-3-1-2-12(15(13)18)10-22-14(6-9-20-22)21-16(23)11-4-7-19-8-5-11;/h1-3,6,9,11,19H,4-5,7-8,10H2,(H,21,23);1H
InChIKeyDBCKIUADXKAVIQ-UHFFFAOYSA-N
XLogP3.60
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.71
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;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 N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride (CID 119274816) is N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)C1CCNCC1.
What is the InChIKey of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is DBCKIUADXKAVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O.ClH/c17-13-3-1-2-12(15(13)18)10-22-14(6-9-20-22)21-16(23)11-4-7-19-8-5-11;/h1-3,6,9,11,19H,4-5,7-8,10H2,(H,21,23);1H.
What are the key properties of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride?
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 389.71 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119274816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).