[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

C15H21F3N4O — CID 146125563

IUPAC[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESCC1(C)CN(CC(F)(F)F)CCN1C(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C15H21F3N4O/c1-14(2)8-21(9-15(16,17)18)6-7-22(14)13(23)12-10-4-3-5-11(10)19-20-12/h3-9H2,1-2H3,(H,19,20)
InChIKeyRXVCNRZUEPNDHH-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.00
Rot. Bonds2

About [2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (PubChem CID 146125563) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is [2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
PubChem CID146125563
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC Name[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESCC1(C)CN(CC(F)(F)F)CCN1C(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C15H21F3N4O/c1-14(2)8-21(9-15(16,17)18)6-7-22(14)13(23)12-10-4-3-5-11(10)19-20-12/h3-9H2,1-2H3,(H,19,20)
InChIKeyRXVCNRZUEPNDHH-UHFFFAOYSA-N
XLogP2.00
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 120807481
(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 154820175
5-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 145225750
2-[2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 136520536
ethyl 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazine-1-carboxylate
CID 110388853
9-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163307429
1-[4-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 75489364
(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 53017418
cis-(1S,2R)-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 154866779
2-(dimethylamino)-N-[2,2-dimethyl-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-3-yl]acetamide
CID 167789204
2-tert-butyl-1'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564858
N-prop-2-ynyl-2-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 71876325

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The IUPAC name of [2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (CID 146125563) is [2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.
What is the SMILES notation for [2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The canonical SMILES for [2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is CC1(C)CN(CC(F)(F)F)CCN1C(=O)c1n[nH]c2c1CCC2.
What is the InChIKey of [2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The InChIKey is RXVCNRZUEPNDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O/c1-14(2)8-21(9-15(16,17)18)6-7-22(14)13(23)12-10-4-3-5-11(10)19-20-12/h3-9H2,1-2H3,(H,19,20).
What are the key properties of [2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone has a molecular weight of 330.35 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is sourced from PubChem (CID 146125563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).