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

C20H27ClN4O — CID 119424628

IUPAC1-(4-ethylphenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
SMILESCCc1ccc(-n2nc(C(=O)NC3CCCNC3)c3c2CCC3)cc1.Cl
InChIInChI=1S/C20H26N4O.ClH/c1-2-14-8-10-16(11-9-14)24-18-7-3-6-17(18)19(23-24)20(25)22-15-5-4-12-21-13-15;/h8-11,15,21H,2-7,12-13H2,1H3,(H,22,25);1H
InChIKeyVZKLURZLYDJZRA-UHFFFAOYSA-N
MW374.92 g/mol
LogP2.83
Rot. Bonds4

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

1-(4-ethylphenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride (PubChem CID 119424628) has the molecular formula C20H27ClN4O and a molecular weight of 374.92 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
PubChem CID119424628
Molecular FormulaC20H27ClN4O
Molecular Weight374.92 g/mol
Exact Mass374.19
IUPAC Name1-(4-ethylphenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
SMILESCCc1ccc(-n2nc(C(=O)NC3CCCNC3)c3c2CCC3)cc1.Cl
InChIInChI=1S/C20H26N4O.ClH/c1-2-14-8-10-16(11-9-14)24-18-7-3-6-17(18)19(23-24)20(25)22-15-5-4-12-21-13-15;/h8-11,15,21H,2-7,12-13H2,1H3,(H,22,25);1H
InChIKeyVZKLURZLYDJZRA-UHFFFAOYSA-N
XLogP2.83
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119533788
1-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 120556314
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-(2-methylphenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119428503
1-(3-bromophenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119429284
[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470277
N-(2-aminoethyl)-1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119382313
1-(2-fluorophenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119424397
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-(4-ethylphenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride (CID 119424628) is 1-(4-ethylphenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-ethylphenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-ethylphenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride is CCc1ccc(-n2nc(C(=O)NC3CCCNC3)c3c2CCC3)cc1.Cl.
What is the InChIKey of 1-(4-ethylphenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is VZKLURZLYDJZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O.ClH/c1-2-14-8-10-16(11-9-14)24-18-7-3-6-17(18)19(23-24)20(25)22-15-5-4-12-21-13-15;/h8-11,15,21H,2-7,12-13H2,1H3,(H,22,25);1H.
What are the key properties of 1-(4-ethylphenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
1-(4-ethylphenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 374.92 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119424628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).