1-(4-ethylphenyl)-N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride

C21H29ClN4O — CID 119533788

IUPAC1-(4-ethylphenyl)-N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
SMILESCCc1ccc(-n2nc(C(=O)NCCC3CCNC3)c3c2CCC3)cc1.Cl
InChIInChI=1S/C21H28N4O.ClH/c1-2-15-6-8-17(9-7-15)25-19-5-3-4-18(19)20(24-25)21(26)23-13-11-16-10-12-22-14-16;/h6-9,16,22H,2-5,10-14H2,1H3,(H,23,26);1H
InChIKeyBEAYLOYLQOCIFI-UHFFFAOYSA-N
MW388.94 g/mol
LogP3.07
Rot. Bonds6

About 1-(4-ethylphenyl)-N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride

1-(4-ethylphenyl)-N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride (PubChem CID 119533788) has the molecular formula C21H29ClN4O and a molecular weight of 388.94 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
PubChem CID119533788
Molecular FormulaC21H29ClN4O
Molecular Weight388.94 g/mol
Exact Mass388.20
IUPAC Name1-(4-ethylphenyl)-N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
SMILESCCc1ccc(-n2nc(C(=O)NCCC3CCNC3)c3c2CCC3)cc1.Cl
InChIInChI=1S/C21H28N4O.ClH/c1-2-15-6-8-17(9-7-15)25-19-5-3-4-18(19)20(24-25)21(26)23-13-11-16-10-12-22-14-16;/h6-9,16,22H,2-5,10-14H2,1H3,(H,23,26);1H
InChIKeyBEAYLOYLQOCIFI-UHFFFAOYSA-N
XLogP3.07
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119424628
1-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 120556314
N-(2-aminoethyl)-1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119382313
2-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid
CID 119171571
1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride
CID 119463358
1-phenyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119450844
4-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230031
cis-(1S,3R)-3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676099
[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560090
4-(3,5-dimethylpyrazol-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537934
[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997698
N-(1-amino-2-methylpropan-2-yl)-1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119521670

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-(4-ethylphenyl)-N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride (CID 119533788) is 1-(4-ethylphenyl)-N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-ethylphenyl)-N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-ethylphenyl)-N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride is CCc1ccc(-n2nc(C(=O)NCCC3CCNC3)c3c2CCC3)cc1.Cl.
What is the InChIKey of 1-(4-ethylphenyl)-N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is BEAYLOYLQOCIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O.ClH/c1-2-15-6-8-17(9-7-15)25-19-5-3-4-18(19)20(24-25)21(26)23-13-11-16-10-12-22-14-16;/h6-9,16,22H,2-5,10-14H2,1H3,(H,23,26);1H.
What are the key properties of 1-(4-ethylphenyl)-N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
1-(4-ethylphenyl)-N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 388.94 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119533788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).