1,3-dimethyl-6,7-dihydro-5H-pyrano[2,3-d]pyrazole

C8H12N2O — CID 118243948

IUPAC1,3-dimethyl-6,7-dihydro-5H-pyrano[2,3-d]pyrazole
SMILESCc1nn(C)c2c1OCCC2
InChIInChI=1S/C8H12N2O/c1-6-8-7(10(2)9-6)4-3-5-11-8/h3-5H2,1-2H3
InChIKeyPNFPBOJKEQRVDZ-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.05
Rot. Bonds

About 1,3-dimethyl-6,7-dihydro-5H-pyrano[2,3-d]pyrazole

1,3-dimethyl-6,7-dihydro-5H-pyrano[2,3-d]pyrazole (PubChem CID 118243948) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1,3-dimethyl-6,7-dihydro-5H-pyrano[2,3-d]pyrazole.

Molecular Properties

Compound Name1,3-dimethyl-6,7-dihydro-5H-pyrano[2,3-d]pyrazole
PubChem CID118243948
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1,3-dimethyl-6,7-dihydro-5H-pyrano[2,3-d]pyrazole
SMILESCc1nn(C)c2c1OCCC2
InChIInChI=1S/C8H12N2O/c1-6-8-7(10(2)9-6)4-3-5-11-8/h3-5H2,1-2H3
InChIKeyPNFPBOJKEQRVDZ-UHFFFAOYSA-N
XLogP1.05
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6,7-dihydro-5H-pyrano[2,3-d]pyrazole?
The IUPAC name of 1,3-dimethyl-6,7-dihydro-5H-pyrano[2,3-d]pyrazole (CID 118243948) is 1,3-dimethyl-6,7-dihydro-5H-pyrano[2,3-d]pyrazole.
What is the SMILES notation for 1,3-dimethyl-6,7-dihydro-5H-pyrano[2,3-d]pyrazole?
The canonical SMILES for 1,3-dimethyl-6,7-dihydro-5H-pyrano[2,3-d]pyrazole is Cc1nn(C)c2c1OCCC2.
What is the InChIKey of 1,3-dimethyl-6,7-dihydro-5H-pyrano[2,3-d]pyrazole?
The InChIKey is PNFPBOJKEQRVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-8-7(10(2)9-6)4-3-5-11-8/h3-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-6,7-dihydro-5H-pyrano[2,3-d]pyrazole?
1,3-dimethyl-6,7-dihydro-5H-pyrano[2,3-d]pyrazole has a molecular weight of 152.20 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6,7-dihydro-5H-pyrano[2,3-d]pyrazole is sourced from PubChem (CID 118243948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).