1-(2-methylpropyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde

C11H16N2O2 — CID 105461799

IUPAC1-(2-methylpropyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde
SMILESCC(C)Cn1nc(C=O)c2c1COCC2
InChIInChI=1S/C11H16N2O2/c1-8(2)5-13-11-7-15-4-3-9(11)10(6-14)12-13/h6,8H,3-5,7H2,1-2H3
InChIKeyMLYBURVHAQESGU-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.42
Rot. Bonds3

About 1-(2-methylpropyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde

1-(2-methylpropyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde (PubChem CID 105461799) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-methylpropyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde
PubChem CID105461799
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(2-methylpropyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde
SMILESCC(C)Cn1nc(C=O)c2c1COCC2
InChIInChI=1S/C11H16N2O2/c1-8(2)5-13-11-7-15-4-3-9(11)10(6-14)12-13/h6,8H,3-5,7H2,1-2H3
InChIKeyMLYBURVHAQESGU-UHFFFAOYSA-N
XLogP1.42
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-(2-methylpropyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde 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

1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde
CID 112711170
1-phenyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbaldehyde
CID 83863030
1-methyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbaldehyde
CID 83863022
1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde
CID 112711168
1-ethyl-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde
CID 105467540
1-(2-methylpropyl)-6-oxopyridazine-3-carbaldehyde
CID 82442319
4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-2-carbaldehyde
CID 105437409
2-amino-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine-4-carbaldehyde
CID 83862973
[(5S)-5-[(2-methoxyphenyl)methylamino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26139947
[(5S)-5-[butyl(methyl)amino]-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26228411
1,6-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carbaldehyde
CID 83863026
(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine
CID 105449261

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde?
The IUPAC name of 1-(2-methylpropyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde (CID 105461799) is 1-(2-methylpropyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde.
What is the SMILES notation for 1-(2-methylpropyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde?
The canonical SMILES for 1-(2-methylpropyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde is CC(C)Cn1nc(C=O)c2c1COCC2.
What is the InChIKey of 1-(2-methylpropyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde?
The InChIKey is MLYBURVHAQESGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(2)5-13-11-7-15-4-3-9(11)10(6-14)12-13/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde?
1-(2-methylpropyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde has a molecular weight of 208.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde is sourced from PubChem (CID 105461799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).