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

C18H23FN4O2 — CID 167350251

IUPACtert-butyl 3-amino-2-(4-fluorophenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC1c2c(N)c(-c3ccc(F)cc3)nn2CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H23FN4O2/c1-11-16-14(20)15(12-5-7-13(19)8-6-12)21-23(16)10-9-22(11)17(24)25-18(2,3)4/h5-8,11H,9-10,20H2,1-4H3
InChIKeyUAXSHMHBIFFHPV-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.58
Rot. Bonds1

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

tert-butyl 3-amino-2-(4-fluorophenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 167350251) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is tert-butyl 3-amino-2-(4-fluorophenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-2-(4-fluorophenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID167350251
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Nametert-butyl 3-amino-2-(4-fluorophenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC1c2c(N)c(-c3ccc(F)cc3)nn2CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H23FN4O2/c1-11-16-14(20)15(12-5-7-13(19)8-6-12)21-23(16)10-9-22(11)17(24)25-18(2,3)4/h5-8,11H,9-10,20H2,1-4H3
InChIKeyUAXSHMHBIFFHPV-UHFFFAOYSA-N
XLogP3.58
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-2-(4-fluorophenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 3-amino-2-(4-fluorophenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 167350251) is tert-butyl 3-amino-2-(4-fluorophenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-2-(4-fluorophenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 3-amino-2-(4-fluorophenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is CC1c2c(N)c(-c3ccc(F)cc3)nn2CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-amino-2-(4-fluorophenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is UAXSHMHBIFFHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-11-16-14(20)15(12-5-7-13(19)8-6-12)21-23(16)10-9-22(11)17(24)25-18(2,3)4/h5-8,11H,9-10,20H2,1-4H3.
What are the key properties of tert-butyl 3-amino-2-(4-fluorophenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl 3-amino-2-(4-fluorophenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 346.41 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-2-(4-fluorophenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 167350251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).