1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propan-2-one

C9H12N2O2 — CID 83858817

IUPAC1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propan-2-one
SMILESCC(=O)Cc1n[nH]c2c1COCC2
InChIInChI=1S/C9H12N2O2/c1-6(12)4-9-7-5-13-3-2-8(7)10-11-9/h2-5H2,1H3,(H,10,11)
InChIKeyHFASISUFKOGYNG-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.61
Rot. Bonds2

About 1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propan-2-one

1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propan-2-one (PubChem CID 83858817) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propan-2-one
PubChem CID83858817
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propan-2-one
SMILESCC(=O)Cc1n[nH]c2c1COCC2
InChIInChI=1S/C9H12N2O2/c1-6(12)4-9-7-5-13-3-2-8(7)10-11-9/h2-5H2,1H3,(H,10,11)
InChIKeyHFASISUFKOGYNG-UHFFFAOYSA-N
XLogP0.61
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid
CID 21258060
3-Isopropyl-1,4,6,7-tetrahydropyrano[4,3-C]pyrazole
CID 58720019
3-Methyl-1,4,6,7-tetrahydropyrano[4,3-C]pyrazole
CID 70661479
6,6-dimethyl-3-propan-2-yl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole
CID 118489322
3,6,6-trimethyl-4,7-dihydro-2H-pyrano[4,3-c]pyrazole
CID 118491727
3-ethyl-6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole
CID 118493355
3-ethyl-2H,4H,6H,7H-pyrano[4,3-c]pyrazole
CID 118493356
Ethane;3-methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 144462047
Ethyl 6-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
CID 146597684
Ethane;3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169144253
Ethane;3-methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169218017
3,6-dimethyl-6,7-dihydro-2H-pyrano[4,3-c]pyrazol-4-one
CID 12826141

Frequently Asked Questions

What is the IUPAC name of 1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propan-2-one?
The IUPAC name of 1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propan-2-one (CID 83858817) is 1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propan-2-one?
The canonical SMILES for 1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propan-2-one is CC(=O)Cc1n[nH]c2c1COCC2.
What is the InChIKey of 1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propan-2-one?
The InChIKey is HFASISUFKOGYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(12)4-9-7-5-13-3-2-8(7)10-11-9/h2-5H2,1H3,(H,10,11).
What are the key properties of 1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propan-2-one?
1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propan-2-one has a molecular weight of 180.21 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propan-2-one is sourced from PubChem (CID 83858817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).