6,6-dimethyl-2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one

C20H25F3N6O2 — CID 137049710

IUPAC6,6-dimethyl-2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nc2c(c(=O)[nH]1)CC(C)(C)C2
InChIInChI=1S/C20H25F3N6O2/c1-12-14(17(31)28-6-4-27(5-7-28)11-20(21,22)23)10-24-29(12)18-25-15-9-19(2,3)8-13(15)16(30)26-18/h10H,4-9,11H2,1-3H3,(H,25,26,30)
InChIKeyWFJITLLKLDYYLJ-UHFFFAOYSA-N
MW438.45 g/mol
LogP1.71
Rot. Bonds3

About 6,6-dimethyl-2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one

6,6-dimethyl-2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one (PubChem CID 137049710) has the molecular formula C20H25F3N6O2 and a molecular weight of 438.45 g/mol. Its IUPAC name is 6,6-dimethyl-2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name6,6-dimethyl-2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one
PubChem CID137049710
Molecular FormulaC20H25F3N6O2
Molecular Weight438.45 g/mol
Exact Mass438.20
IUPAC Name6,6-dimethyl-2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nc2c(c(=O)[nH]1)CC(C)(C)C2
InChIInChI=1S/C20H25F3N6O2/c1-12-14(17(31)28-6-4-27(5-7-28)11-20(21,22)23)10-24-29(12)18-25-15-9-19(2,3)8-13(15)16(30)26-18/h10H,4-9,11H2,1-3H3,(H,25,26,30)
InChIKeyWFJITLLKLDYYLJ-UHFFFAOYSA-N
XLogP1.71
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,6-dimethyl-2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 6,6-dimethyl-2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one (CID 137049710) is 6,6-dimethyl-2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 6,6-dimethyl-2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 6,6-dimethyl-2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one is Cc1c(C(=O)N2CCN(CC(F)(F)F)CC2)cnn1-c1nc2c(c(=O)[nH]1)CC(C)(C)C2.
What is the InChIKey of 6,6-dimethyl-2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is WFJITLLKLDYYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N6O2/c1-12-14(17(31)28-6-4-27(5-7-28)11-20(21,22)23)10-24-29(12)18-25-15-9-19(2,3)8-13(15)16(30)26-18/h10H,4-9,11H2,1-3H3,(H,25,26,30).
What are the key properties of 6,6-dimethyl-2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one?
6,6-dimethyl-2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 438.45 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-5,7-dihydro-3H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 137049710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).