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

C17H20Cl2N4O — CID 119495938

IUPACN-(3-aminobutyl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCC(N)CCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2
InChIInChI=1S/C17H20Cl2N4O/c1-10(20)7-8-21-17(24)16-12-3-2-4-14(12)23(22-16)15-6-5-11(18)9-13(15)19/h5-6,9-10H,2-4,7-8,20H2,1H3,(H,21,24)
InChIKeyGMRWFEKZLXUUTJ-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.13
Rot. Bonds5

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

N-(3-aminobutyl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 119495938) has the molecular formula C17H20Cl2N4O and a molecular weight of 367.28 g/mol. Its IUPAC name is N-(3-aminobutyl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID119495938
Molecular FormulaC17H20Cl2N4O
Molecular Weight367.28 g/mol
Exact Mass366.10
IUPAC NameN-(3-aminobutyl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCC(N)CCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2
InChIInChI=1S/C17H20Cl2N4O/c1-10(20)7-8-21-17(24)16-12-3-2-4-14(12)23(22-16)15-6-5-11(18)9-13(15)19/h5-6,9-10H,2-4,7-8,20H2,1H3,(H,21,24)
InChIKeyGMRWFEKZLXUUTJ-UHFFFAOYSA-N
XLogP3.13
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-aminobutyl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119382850
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-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 120508712
1-(2,4-dichlorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 71932377
N-(3-aminobutyl)-1-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;hydrochloride
CID 119496276
(2R)-2-[[1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
CID 119369877
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-(aminomethyl)pyrrolidin-1-yl]-[1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride
CID 119631788
N-(3-aminopropyl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119408402
1-(4-chloro-2-fluorophenyl)-N-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 166343753
1-(2,4-dichlorophenyl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 145479680

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(3-aminobutyl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 119495938) is N-(3-aminobutyl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CC(N)CCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2.
What is the InChIKey of N-(3-aminobutyl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is GMRWFEKZLXUUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O/c1-10(20)7-8-21-17(24)16-12-3-2-4-14(12)23(22-16)15-6-5-11(18)9-13(15)19/h5-6,9-10H,2-4,7-8,20H2,1H3,(H,21,24).
What are the key properties of N-(3-aminobutyl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-(3-aminobutyl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 367.28 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 119495938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).