3-amino-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]cyclopentane-1-carboxamide;hydrochloride

C16H19Cl3N4O — CID 119696113

IUPAC3-amino-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C16H18Cl2N4O.ClH/c17-13-3-1-2-11(15(13)18)9-22-14(6-7-20-22)21-16(23)10-4-5-12(19)8-10;/h1-3,6-7,10,12H,4-5,8-9,19H2,(H,21,23);1H
InChIKeyUKWPFNBGOQRPFW-UHFFFAOYSA-N
MW389.71 g/mol
LogP3.73
Rot. Bonds4

About 3-amino-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119696113) has the molecular formula C16H19Cl3N4O and a molecular weight of 389.71 g/mol. Its IUPAC name is 3-amino-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119696113
Molecular FormulaC16H19Cl3N4O
Molecular Weight389.71 g/mol
Exact Mass388.06
IUPAC Name3-amino-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C16H18Cl2N4O.ClH/c17-13-3-1-2-11(15(13)18)9-22-14(6-7-20-22)21-16(23)10-4-5-12(19)8-10;/h1-3,6-7,10,12H,4-5,8-9,19H2,(H,21,23);1H
InChIKeyUKWPFNBGOQRPFW-UHFFFAOYSA-N
XLogP3.73
TPSA72.94 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 ≤ 53.73
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
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119274820
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 17406614
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
CID 18193306
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 24509873
3-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 112799172
1-[[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122090605
1-(1,3-benzoxazol-2-yl)-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
CID 24597757
3-amino-N-[2-(2,3-dichlorophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119736254
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 38996984
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrrolidin-2-ylacetamide
CID 119696124
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-methylphenyl)acetamide
CID 18096376

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]cyclopentane-1-carboxamide;hydrochloride (CID 119696113) is 3-amino-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)C1.
What is the InChIKey of 3-amino-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is UKWPFNBGOQRPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O.ClH/c17-13-3-1-2-11(15(13)18)9-22-14(6-7-20-22)21-16(23)10-4-5-12(19)8-10;/h1-3,6-7,10,12H,4-5,8-9,19H2,(H,21,23);1H.
What are the key properties of 3-amino-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 389.71 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119696113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).