1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde

C10H14N2O2 — CID 112711170

IUPAC1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde
SMILESCC(C)n1nc(C=O)c2c1COCC2
InChIInChI=1S/C10H14N2O2/c1-7(2)12-10-6-14-4-3-8(10)9(5-13)11-12/h5,7H,3-4,6H2,1-2H3
InChIKeyXNEFODVBUUWOGC-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.35
Rot. Bonds2

About 1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde

1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde (PubChem CID 112711170) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde
PubChem CID112711170
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde
SMILESCC(C)n1nc(C=O)c2c1COCC2
InChIInChI=1S/C10H14N2O2/c1-7(2)12-10-6-14-4-3-8(10)9(5-13)11-12/h5,7H,3-4,6H2,1-2H3
InChIKeyXNEFODVBUUWOGC-UHFFFAOYSA-N
XLogP1.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpropyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde
CID 105461799
1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde
CID 112711168
1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-3-carbaldehyde
CID 105438135
1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
CID 105439556
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-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine
CID 105449261
1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid
CID 90162209
4,4-difluoro-1-propan-2-yl-6,7-dihydro-5H-indazole-3-carbaldehyde
CID 105485375
3-(chloromethyl)-2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 121214424
1-propan-2-ylindazole-3-carbaldehyde
CID 87676732
2-(2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)acetic acid
CID 121214446

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde?
The IUPAC name of 1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde (CID 112711170) is 1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde.
What is the SMILES notation for 1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde?
The canonical SMILES for 1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde is CC(C)n1nc(C=O)c2c1COCC2.
What is the InChIKey of 1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde?
The InChIKey is XNEFODVBUUWOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(2)12-10-6-14-4-3-8(10)9(5-13)11-12/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde?
1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde has a molecular weight of 194.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde is sourced from PubChem (CID 112711170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).