tert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C16H20FN5O2 — CID 122419970

IUPACtert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCc1nc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)ncc1F
InChIInChI=1S/C16H20FN5O2/c1-10-12(17)8-18-14(20-10)11-7-19-22-6-5-21(9-13(11)22)15(23)24-16(2,3)4/h7-8H,5-6,9H2,1-4H3
InChIKeyADCNXOPEHDVLHD-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.54
Rot. Bonds1

About tert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

tert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 122419970) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is tert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID122419970
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC Nametert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCc1nc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)ncc1F
InChIInChI=1S/C16H20FN5O2/c1-10-12(17)8-18-14(20-10)11-7-19-22-6-5-21(9-13(11)22)15(23)24-16(2,3)4/h7-8H,5-6,9H2,1-4H3
InChIKeyADCNXOPEHDVLHD-UHFFFAOYSA-N
XLogP2.54
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate with MolForge

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Related Compounds

4-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-piperazine-1-carboxylic acid tert-butyl ester
CID 647029
Tert-butyl 2-(trifluoromethyl)-5H-pyrrolo[3,4-D]pyrimidine-6(7H)-carboxylate
CID 52988153
(6S)-3-(5-fluoropyrimidin-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
CID 121483993
tert-butyl 3-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419965
tert-butyl (6S)-3-(5-fluoropyrimidin-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122420029
Tert-butyl 4-[5-[4-amino-3-(difluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]piperazine-1-carboxylate
CID 146598972
Tert-butyl 4-[2-(1,4-dimethylpyrazol-5-yl)-5-fluoropyrimidin-4-yl]piperazine-1-carboxylate
CID 163866853
Tert-butyl 4-[4-(5-carbamoyl-2-methyl-1,2,4-triazol-3-yl)-5-fluoropyrimidin-2-yl]piperazine-1-carboxylate
CID 164031955
Tert-butyl 4-[5-fluoro-4-[5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]piperazine-1-carboxylate
CID 167435891
5-[5-Fluoro-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidin-4-yl]-1-methyl-1,2,4-triazole-3-carboxylic acid
CID 167435900
Tert-butyl 4-[5-fluoro-4-(5-formyl-2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 167435908
Tert-butyl 4-[4-(5-cyano-2-methyl-1,2,4-triazol-3-yl)-5-fluoropyrimidin-2-yl]piperazine-1-carboxylate
CID 167435916

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 122419970) is tert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is Cc1nc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)ncc1F.
What is the InChIKey of tert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is ADCNXOPEHDVLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O2/c1-10-12(17)8-18-14(20-10)11-7-19-22-6-5-21(9-13(11)22)15(23)24-16(2,3)4/h7-8H,5-6,9H2,1-4H3.
What are the key properties of tert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 333.37 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-fluoro-4-methylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 122419970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).