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

C10H14N2O2 — CID 83858818

IUPAC3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butan-2-one
SMILESCC(=O)C(C)c1n[nH]c2c1COCC2
InChIInChI=1S/C10H14N2O2/c1-6(7(2)13)10-8-5-14-4-3-9(8)11-12-10/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyZALAKXOBJFZZNK-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.17
Rot. Bonds2

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

3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butan-2-one (PubChem CID 83858818) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butan-2-one.

Molecular Properties

Compound Name3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butan-2-one
PubChem CID83858818
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butan-2-one
SMILESCC(=O)C(C)c1n[nH]c2c1COCC2
InChIInChI=1S/C10H14N2O2/c1-6(7(2)13)10-8-5-14-4-3-9(8)11-12-10/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyZALAKXOBJFZZNK-UHFFFAOYSA-N
XLogP1.17
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-methyl-4,5,6,7-tetrahydro-2H-indazole-7-carboxylate;hydrochloride
CID 177800329
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-(tert-Butyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 117861625
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
Ethyl 7-methyl-3-propan-2-yl-2,4,5,6-tetrahydroindazole-7-carboxylate
CID 146330889
Ethane;3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169144253
3,6-dimethyl-6,7-dihydro-2H-pyrano[4,3-c]pyrazol-4-one
CID 12826141
2-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)acetic acid
CID 82407932

Frequently Asked Questions

What is the IUPAC name of 3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butan-2-one?
The IUPAC name of 3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butan-2-one (CID 83858818) is 3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butan-2-one.
What is the SMILES notation for 3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butan-2-one?
The canonical SMILES for 3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butan-2-one is CC(=O)C(C)c1n[nH]c2c1COCC2.
What is the InChIKey of 3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butan-2-one?
The InChIKey is ZALAKXOBJFZZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6(7(2)13)10-8-5-14-4-3-9(8)11-12-10/h6H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butan-2-one?
3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butan-2-one has a molecular weight of 194.23 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butan-2-one is sourced from PubChem (CID 83858818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).