4-fluoro-3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole

C7H9FN2O — CID 176992377

IUPAC4-fluoro-3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole
SMILESCc1[nH]nc2c1C(F)COC2
InChIInChI=1S/C7H9FN2O/c1-4-7-5(8)2-11-3-6(7)10-9-4/h5H,2-3H2,1H3,(H,9,10)
InChIKeyBHNAKIKESNFLHQ-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.26
Rot. Bonds

About 4-fluoro-3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole

4-fluoro-3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole (PubChem CID 176992377) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 4-fluoro-3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole.

Molecular Properties

Compound Name4-fluoro-3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole
PubChem CID176992377
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name4-fluoro-3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole
SMILESCc1[nH]nc2c1C(F)COC2
InChIInChI=1S/C7H9FN2O/c1-4-7-5(8)2-11-3-6(7)10-9-4/h5H,2-3H2,1H3,(H,9,10)
InChIKeyBHNAKIKESNFLHQ-UHFFFAOYSA-N
XLogP1.26
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole?
The IUPAC name of 4-fluoro-3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole (CID 176992377) is 4-fluoro-3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole.
What is the SMILES notation for 4-fluoro-3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole?
The canonical SMILES for 4-fluoro-3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole is Cc1[nH]nc2c1C(F)COC2.
What is the InChIKey of 4-fluoro-3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole?
The InChIKey is BHNAKIKESNFLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-4-7-5(8)2-11-3-6(7)10-9-4/h5H,2-3H2,1H3,(H,9,10).
What are the key properties of 4-fluoro-3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole?
4-fluoro-3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole has a molecular weight of 156.16 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole is sourced from PubChem (CID 176992377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).