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

C14H20N6O2 — CID 167830699

IUPACtert-butyl 3-(1-methyltriazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCn1cc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)nn1
InChIInChI=1S/C14H20N6O2/c1-14(2,3)22-13(21)19-5-6-20-12(9-19)10(7-15-20)11-8-18(4)17-16-11/h7-8H,5-6,9H2,1-4H3
InChIKeySOZDFKBYGLQOIC-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.43
Rot. Bonds1

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

tert-butyl 3-(1-methyltriazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 167830699) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is tert-butyl 3-(1-methyltriazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-methyltriazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID167830699
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Nametert-butyl 3-(1-methyltriazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCn1cc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)nn1
InChIInChI=1S/C14H20N6O2/c1-14(2,3)22-13(21)19-5-6-20-12(9-19)10(7-15-20)11-8-18(4)17-16-11/h7-8H,5-6,9H2,1-4H3
InChIKeySOZDFKBYGLQOIC-UHFFFAOYSA-N
XLogP1.43
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

tert-butyl 3-(2-aminopyrimidin-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 154867794
[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]boronic acid
CID 163323414
tert-butyl 3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 169193876
tert-butyl 3-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 121484167
tert-butyl 3-carbamoyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxylate
CID 170622419
tert-butyl 1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 158789339
tert-butyl 6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate
CID 56972866
tert-butyl 3-(aminomethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate
CID 83854645
tert-butyl 3-(aminomethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxylate
CID 165367461
tert-butyl 3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 152614592
tert-butyl 3-(3-methyl-5-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122420021
tert-butyl 2-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-methyltriazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 3-(1-methyltriazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 167830699) is tert-butyl 3-(1-methyltriazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-methyltriazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 3-(1-methyltriazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is Cn1cc(-c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)nn1.
What is the InChIKey of tert-butyl 3-(1-methyltriazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is SOZDFKBYGLQOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-14(2,3)22-13(21)19-5-6-20-12(9-19)10(7-15-20)11-8-18(4)17-16-11/h7-8H,5-6,9H2,1-4H3.
What are the key properties of tert-butyl 3-(1-methyltriazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl 3-(1-methyltriazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-methyltriazol-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 167830699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).