3,3-dimethyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazin-2-one

C13H18N4O2 — CID 100678674

IUPAC3,3-dimethyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C13H18N4O2/c1-13(2)12(19)14-6-7-17(13)11(18)10-8-4-3-5-9(8)15-16-10/h3-7H2,1-2H3,(H,14,19)(H,15,16)
InChIKeyRLFLVWNQSQOTPZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.25
Rot. Bonds1

About 3,3-dimethyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazin-2-one

3,3-dimethyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazin-2-one (PubChem CID 100678674) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3,3-dimethyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazin-2-one
PubChem CID100678674
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3,3-dimethyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C13H18N4O2/c1-13(2)12(19)14-6-7-17(13)11(18)10-8-4-3-5-9(8)15-16-10/h3-7H2,1-2H3,(H,14,19)(H,15,16)
InChIKeyRLFLVWNQSQOTPZ-UHFFFAOYSA-N
XLogP0.25
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide
CID 44229278
N'-(2,2,6,6-tetramethyl-4-piperidinylidene)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 820024
N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873445
N-cyclopentyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 56832112
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 71847289
2,5-Dihydropyrrol-1-yl-[5-(3-methylbutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 97388940
1-[3-(2,5-Dihydropyrrole-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 97388943
(4-Methylpiperazin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 97388964
4-(5-Propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperazin-2-one
CID 97388975
[5-(2-Methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 97461851
5-(cyclohexylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97461968
N-cyclobutyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 97515437

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazin-2-one (CID 100678674) is 3,3-dimethyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazin-2-one is CC1(C)C(=O)NCCN1C(=O)c1n[nH]c2c1CCC2.
What is the InChIKey of 3,3-dimethyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazin-2-one?
The InChIKey is RLFLVWNQSQOTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-13(2)12(19)14-6-7-17(13)11(18)10-8-4-3-5-9(8)15-16-10/h3-7H2,1-2H3,(H,14,19)(H,15,16).
What are the key properties of 3,3-dimethyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazin-2-one?
3,3-dimethyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazin-2-one has a molecular weight of 262.31 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 100678674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).