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

C16H19Cl3N4O — CID 120508712

IUPACN-[(2S)-1-aminopropan-2-yl]-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2.Cl
InChIInChI=1S/C16H18Cl2N4O.ClH/c1-9(8-19)20-16(23)15-11-3-2-4-13(11)22(21-15)14-6-5-10(17)7-12(14)18;/h5-7,9H,2-4,8,19H2,1H3,(H,20,23);1H/t9-;/m0./s1
InChIKeyVNWXKYLTXOSXTJ-FVGYRXGTSA-N
MW389.71 g/mol
LogP3.17
Rot. Bonds4

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

N-[(2S)-1-aminopropan-2-yl]-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride (PubChem CID 120508712) has the molecular formula C16H19Cl3N4O and a molecular weight of 389.71 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
PubChem CID120508712
Molecular FormulaC16H19Cl3N4O
Molecular Weight389.71 g/mol
Exact Mass388.06
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2.Cl
InChIInChI=1S/C16H18Cl2N4O.ClH/c1-9(8-19)20-16(23)15-11-3-2-4-13(11)22(21-15)14-6-5-10(17)7-12(14)18;/h5-7,9H,2-4,8,19H2,1H3,(H,20,23);1H/t9-;/m0./s1
InChIKeyVNWXKYLTXOSXTJ-FVGYRXGTSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
CID 119369877
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
1-(2,4-dichlorophenyl)-N-[2-(ethylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119505744
N-[(2S)-1-aminopropan-2-yl]-1-(3-bromophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 120508126
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride
CID 119631788
1-(2,4-dichlorophenyl)-N,N-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 71932378
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 119631789
2-[[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
CID 119348886
N-(3-amino-2-methylpropyl)-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119995427
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 166333241

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride (CID 120508712) is N-[(2S)-1-aminopropan-2-yl]-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride is C[C@@H](CN)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is VNWXKYLTXOSXTJ-FVGYRXGTSA-N. The full InChI is InChI=1S/C16H18Cl2N4O.ClH/c1-9(8-19)20-16(23)15-11-3-2-4-13(11)22(21-15)14-6-5-10(17)7-12(14)18;/h5-7,9H,2-4,8,19H2,1H3,(H,20,23);1H/t9-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 389.71 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120508712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).