[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride

C20H27ClN4O — CID 119470277

IUPAC[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCCc1ccc(-n2nc(C(=O)N3CCNCC3C)c3c2CCC3)cc1.Cl
InChIInChI=1S/C20H26N4O.ClH/c1-3-15-7-9-16(10-8-15)24-18-6-4-5-17(18)19(22-24)20(25)23-12-11-21-13-14(23)2;/h7-10,14,21H,3-6,11-13H2,1-2H3;1H
InChIKeySIEHOBXJICSPHO-UHFFFAOYSA-N
MW374.92 g/mol
LogP2.78
Rot. Bonds3

About [1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride

[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119470277) has the molecular formula C20H27ClN4O and a molecular weight of 374.92 g/mol. Its IUPAC name is [1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119470277
Molecular FormulaC20H27ClN4O
Molecular Weight374.92 g/mol
Exact Mass374.19
IUPAC Name[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCCc1ccc(-n2nc(C(=O)N3CCNCC3C)c3c2CCC3)cc1.Cl
InChIInChI=1S/C20H26N4O.ClH/c1-3-15-7-9-16(10-8-15)24-18-6-4-5-17(18)19(22-24)20(25)23-12-11-21-13-14(23)2;/h7-10,14,21H,3-6,11-13H2,1-2H3;1H
InChIKeySIEHOBXJICSPHO-UHFFFAOYSA-N
XLogP2.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997698
1-(4-ethylphenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119424628
[2-(aminomethyl)piperidin-1-yl]-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride
CID 119466464
1-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 120556314
1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-2-carboxylic acid
CID 119176180
[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119648885
1-(4-ethylphenyl)-N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119533788
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638
[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560090
[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488015
(2,3-dimethylpiperazin-1-yl)-[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone;hydrochloride
CID 120571447
cis-(1S,3R)-3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676099

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride (CID 119470277) is [1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride is CCc1ccc(-n2nc(C(=O)N3CCNCC3C)c3c2CCC3)cc1.Cl.
What is the InChIKey of [1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is SIEHOBXJICSPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O.ClH/c1-3-15-7-9-16(10-8-15)24-18-6-4-5-17(18)19(22-24)20(25)23-12-11-21-13-14(23)2;/h7-10,14,21H,3-6,11-13H2,1-2H3;1H.
What are the key properties of [1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride?
[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 374.92 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119470277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).