6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C15H15N5O3 — CID 166293738

IUPAC6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCc1c(C(=O)OCc2cc3n(n2)CCOC3)cnc2ccnn12
InChIInChI=1S/C15H15N5O3/c1-10-13(7-16-14-2-3-17-20(10)14)15(21)23-8-11-6-12-9-22-5-4-19(12)18-11/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyVRHZORJRJFATAT-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.12
Rot. Bonds3

About 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 166293738) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID166293738
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCc1c(C(=O)OCc2cc3n(n2)CCOC3)cnc2ccnn12
InChIInChI=1S/C15H15N5O3/c1-10-13(7-16-14-2-3-17-20(10)14)15(21)23-8-11-6-12-9-22-5-4-19(12)18-11/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyVRHZORJRJFATAT-UHFFFAOYSA-N
XLogP1.12
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate with MolForge

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Related Compounds

2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethoxy)acetic acid
CID 53397662
(1-methylbenzotriazol-5-yl)methyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 166332109
6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethanamine;hydrochloride
CID 155970187
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 50965530
7-methyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 166332146
N-(3,3-difluoro-1-methylcyclopentyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 166302285
methyl 2-[butan-2-yl-(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetate
CID 166302235
ethyl 7-(2-chloro-4-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 71178929
7-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 91781697
7-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 118770888
1-[1-(2-methoxy-2-oxoethyl)triazol-4-yl]ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 167952889
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 162844227

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 166293738) is 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is Cc1c(C(=O)OCc2cc3n(n2)CCOC3)cnc2ccnn12.
What is the InChIKey of 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is VRHZORJRJFATAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-10-13(7-16-14-2-3-17-20(10)14)15(21)23-8-11-6-12-9-22-5-4-19(12)18-11/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 313.32 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 166293738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).