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

C16H19Cl3N4O — CID 119274820

IUPACN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)C1CCCNC1
InChIInChI=1S/C16H18Cl2N4O.ClH/c17-13-5-1-3-12(15(13)18)10-22-14(6-8-20-22)21-16(23)11-4-2-7-19-9-11;/h1,3,5-6,8,11,19H,2,4,7,9-10H2,(H,21,23);1H
InChIKeyNFBIGFSWUBJHIT-UHFFFAOYSA-N
MW389.71 g/mol
LogP3.60
Rot. Bonds4

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

N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119274820) 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-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
PubChem CID119274820
Molecular FormulaC16H19Cl3N4O
Molecular Weight389.71 g/mol
Exact Mass388.06
IUPAC NameN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)C1CCCNC1
InChIInChI=1S/C16H18Cl2N4O.ClH/c17-13-5-1-3-12(15(13)18)10-22-14(6-8-20-22)21-16(23)11-4-2-7-19-9-11;/h1,3,5-6,8,11,19H,2,4,7,9-10H2,(H,21,23);1H
InChIKeyNFBIGFSWUBJHIT-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

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Related Compounds

N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119274816
3-amino-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119696113
N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide
CID 119321823
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 17406614
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrrolidin-2-ylacetamide
CID 119696124
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
CID 18193306
3-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 112799172
N-(2-butylpyrazol-3-yl)piperidine-3-carboxamide
CID 119286994
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 38996984
1-(1,3-benzoxazol-2-yl)-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
CID 24597757
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 24509873
1-[[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122090605

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride (CID 119274820) is N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)C1CCCNC1.
What is the InChIKey of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is NFBIGFSWUBJHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O.ClH/c17-13-5-1-3-12(15(13)18)10-22-14(6-8-20-22)21-16(23)11-4-2-7-19-9-11;/h1,3,5-6,8,11,19H,2,4,7,9-10H2,(H,21,23);1H.
What are the key properties of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride?
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-3-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-3-carboxamide;hydrochloride is sourced from PubChem (CID 119274820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).