4-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C18H22FN5O2 — CID 118061438

IUPAC4-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(C)C1c2c(C(N)=O)c(-c3ccccc3F)nn2CCN1C(N)=O
InChIInChI=1S/C18H22FN5O2/c1-18(2,3)15-14-12(16(20)25)13(10-6-4-5-7-11(10)19)22-24(14)9-8-23(15)17(21)26/h4-7,15H,8-9H2,1-3H3,(H2,20,25)(H2,21,26)
InChIKeyPQRRJJWEVXZZQO-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.27
Rot. Bonds2

About 4-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

4-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118061438) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is 4-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name4-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118061438
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name4-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(C)C1c2c(C(N)=O)c(-c3ccccc3F)nn2CCN1C(N)=O
InChIInChI=1S/C18H22FN5O2/c1-18(2,3)15-14-12(16(20)25)13(10-6-4-5-7-11(10)19)22-24(14)9-8-23(15)17(21)26/h4-7,15H,8-9H2,1-3H3,(H2,20,25)(H2,21,26)
InChIKeyPQRRJJWEVXZZQO-UHFFFAOYSA-N
XLogP2.27
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 4-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118061438) is 4-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 4-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 4-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CC(C)(C)C1c2c(C(N)=O)c(-c3ccccc3F)nn2CCN1C(N)=O.
What is the InChIKey of 4-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is PQRRJJWEVXZZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-18(2,3)15-14-12(16(20)25)13(10-6-4-5-7-11(10)19)22-24(14)9-8-23(15)17(21)26/h4-7,15H,8-9H2,1-3H3,(H2,20,25)(H2,21,26).
What are the key properties of 4-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
4-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 359.41 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118061438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).