6-cyclopropyl-3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C22H24F3N5O2 — CID 150011955

IUPAC6-cyclopropyl-3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCC1(C)CC(=O)N(c2cnn3c2CN(C(=O)Nc2cc(F)c(F)c(F)c2)C(C2CC2)C3)C1
InChIInChI=1S/C22H24F3N5O2/c1-22(2)7-19(31)29(11-22)16-8-26-30-10-17(12-3-4-12)28(9-18(16)30)21(32)27-13-5-14(23)20(25)15(24)6-13/h5-6,8,12,17H,3-4,7,9-11H2,1-2H3,(H,27,32)
InChIKeyDDLSZAVXOXKJMZ-UHFFFAOYSA-N
MW447.46 g/mol
LogP3.89
Rot. Bonds3

About 6-cyclopropyl-3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

6-cyclopropyl-3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 150011955) has the molecular formula C22H24F3N5O2 and a molecular weight of 447.46 g/mol. Its IUPAC name is 6-cyclopropyl-3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID150011955
Molecular FormulaC22H24F3N5O2
Molecular Weight447.46 g/mol
Exact Mass447.19
IUPAC Name6-cyclopropyl-3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCC1(C)CC(=O)N(c2cnn3c2CN(C(=O)Nc2cc(F)c(F)c(F)c2)C(C2CC2)C3)C1
InChIInChI=1S/C22H24F3N5O2/c1-22(2)7-19(31)29(11-22)16-8-26-30-10-17(12-3-4-12)28(9-18(16)30)21(32)27-13-5-14(23)20(25)15(24)6-13/h5-6,8,12,17H,3-4,7,9-11H2,1-2H3,(H,27,32)
InChIKeyDDLSZAVXOXKJMZ-UHFFFAOYSA-N
XLogP3.89
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 6-cyclopropyl-3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 150011955) is 6-cyclopropyl-3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CC1(C)CC(=O)N(c2cnn3c2CN(C(=O)Nc2cc(F)c(F)c(F)c2)C(C2CC2)C3)C1.
What is the InChIKey of 6-cyclopropyl-3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is DDLSZAVXOXKJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O2/c1-22(2)7-19(31)29(11-22)16-8-26-30-10-17(12-3-4-12)28(9-18(16)30)21(32)27-13-5-14(23)20(25)15(24)6-13/h5-6,8,12,17H,3-4,7,9-11H2,1-2H3,(H,27,32).
What are the key properties of 6-cyclopropyl-3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
6-cyclopropyl-3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 447.46 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 150011955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).