3-methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole

C7H10N2O — CID 70661479

IUPAC3-methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole
SMILESCc1[nH]nc2c1COCC2
InChIInChI=1S/C7H10N2O/c1-5-6-4-10-3-2-7(6)9-8-5/h2-4H2,1H3,(H,8,9)
InChIKeyMRAXWGDMQACKAM-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.79
Rot. Bonds

About 3-methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole

3-methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole (PubChem CID 70661479) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name3-methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole
PubChem CID70661479
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole
SMILESCc1[nH]nc2c1COCC2
InChIInChI=1S/C7H10N2O/c1-5-6-4-10-3-2-7(6)9-8-5/h2-4H2,1H3,(H,8,9)
InChIKeyMRAXWGDMQACKAM-UHFFFAOYSA-N
XLogP0.79
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The IUPAC name of 3-methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole (CID 70661479) is 3-methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole.
What is the SMILES notation for 3-methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The canonical SMILES for 3-methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole is Cc1[nH]nc2c1COCC2.
What is the InChIKey of 3-methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The InChIKey is MRAXWGDMQACKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5-6-4-10-3-2-7(6)9-8-5/h2-4H2,1H3,(H,8,9).
What are the key properties of 3-methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
3-methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole has a molecular weight of 138.17 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole is sourced from PubChem (CID 70661479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).