1-(2,4-dichlorophenyl)-N-[2-(ethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride

C17H21Cl3N4O — CID 119505744

IUPAC1-(2,4-dichlorophenyl)-N-[2-(ethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2.Cl
InChIInChI=1S/C17H20Cl2N4O.ClH/c1-2-20-8-9-21-17(24)16-12-4-3-5-14(12)23(22-16)15-7-6-11(18)10-13(15)19;/h6-7,10,20H,2-5,8-9H2,1H3,(H,21,24);1H
InChIKeyRKXSBUDBRSKCDL-UHFFFAOYSA-N
MW403.74 g/mol
LogP3.43
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-N-[2-(ethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride

1-(2,4-dichlorophenyl)-N-[2-(ethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride (PubChem CID 119505744) has the molecular formula C17H21Cl3N4O and a molecular weight of 403.74 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[2-(ethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[2-(ethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
PubChem CID119505744
Molecular FormulaC17H21Cl3N4O
Molecular Weight403.74 g/mol
Exact Mass402.08
IUPAC Name1-(2,4-dichlorophenyl)-N-[2-(ethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2.Cl
InChIInChI=1S/C17H20Cl2N4O.ClH/c1-2-20-8-9-21-17(24)16-12-4-3-5-14(12)23(22-16)15-7-6-11(18)10-13(15)19;/h6-7,10,20H,2-5,8-9H2,1H3,(H,21,24);1H
InChIKeyRKXSBUDBRSKCDL-UHFFFAOYSA-N
XLogP3.43
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.74
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119382850
N-(3-aminobutyl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119495938
1-(2,4-dichlorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 71932377
N-[(2S)-1-aminopropan-2-yl]-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 120508712
1-(2,4-dichlorophenyl)-N,N-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 71932378
(2R)-2-[[1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
CID 119369877
1-(2-fluoro-4-methylphenyl)-N-[2-(methylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119501486
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride
CID 119631788
2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119509137
N-(3-aminopropyl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119408402
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 119631789
1-(4-chloro-2-fluorophenyl)-N-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 166343753

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[2-(ethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[2-(ethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride (CID 119505744) is 1-(2,4-dichlorophenyl)-N-[2-(ethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[2-(ethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[2-(ethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride is CCNCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2.Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[2-(ethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is RKXSBUDBRSKCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O.ClH/c1-2-20-8-9-21-17(24)16-12-4-3-5-14(12)23(22-16)15-7-6-11(18)10-13(15)19;/h6-7,10,20H,2-5,8-9H2,1H3,(H,21,24);1H.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[2-(ethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
1-(2,4-dichlorophenyl)-N-[2-(ethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 403.74 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[2-(ethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119505744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).