4-fluoro-3-propan-2-yl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole

C9H13FN2O — CID 171531501

IUPAC4-fluoro-3-propan-2-yl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole
SMILESCC(C)c1n[nH]c2c1C(F)COC2
InChIInChI=1S/C9H13FN2O/c1-5(2)9-8-6(10)3-13-4-7(8)11-12-9/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyBUTYOPJIMZBTJI-UHFFFAOYSA-N
MW184.21 g/mol
LogP2.07
Rot. Bonds1

About 4-fluoro-3-propan-2-yl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole

4-fluoro-3-propan-2-yl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole (PubChem CID 171531501) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 4-fluoro-3-propan-2-yl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole.

Molecular Properties

Compound Name4-fluoro-3-propan-2-yl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole
PubChem CID171531501
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name4-fluoro-3-propan-2-yl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole
SMILESCC(C)c1n[nH]c2c1C(F)COC2
InChIInChI=1S/C9H13FN2O/c1-5(2)9-8-6(10)3-13-4-7(8)11-12-9/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyBUTYOPJIMZBTJI-UHFFFAOYSA-N
XLogP2.07
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(trifluoromethyl)-1H,4H,6H,7H-pyrano(4,3-c)pyrazole
CID 50992796
2,2-difluoro-2-{1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}ethan-1-amine
CID 119031460
3-iodo-6,6-dimethyl-2H,4H,6H,7H-pyrano[4,3-c]pyrazole
CID 170910133
3-(Trifluoromethyl)-1,4,5,7-tetrahydropyrano[3,4-C]pyrazole
CID 50992798
3-[Difluoro(iodo)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 71101167
3-(Difluoromethyl)-2,4,6,7-tetrahydropyrano[4,3-C]pyrazole
CID 130133316
Ethane;3-(trifluoromethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole
CID 162530657
[3-(2-fluoropropan-2-yl)-4-methyl-1H-pyrazol-5-yl]methanol
CID 163425053
5-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)-4-methyl-1H-pyrazole
CID 166528390
4-Fluoro-3-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazole
CID 176992377
N-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-amine
CID 152963598
5,5-dimethyl-4,7-dihydro-1H-pyrano[4,3-d]pyrazole
CID 20784772

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-propan-2-yl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole?
The IUPAC name of 4-fluoro-3-propan-2-yl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole (CID 171531501) is 4-fluoro-3-propan-2-yl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole.
What is the SMILES notation for 4-fluoro-3-propan-2-yl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole?
The canonical SMILES for 4-fluoro-3-propan-2-yl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole is CC(C)c1n[nH]c2c1C(F)COC2.
What is the InChIKey of 4-fluoro-3-propan-2-yl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole?
The InChIKey is BUTYOPJIMZBTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-5(2)9-8-6(10)3-13-4-7(8)11-12-9/h5-6H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 4-fluoro-3-propan-2-yl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole?
4-fluoro-3-propan-2-yl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole has a molecular weight of 184.21 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-propan-2-yl-1,4,5,7-tetrahydropyrano[3,4-c]pyrazole is sourced from PubChem (CID 171531501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).