1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid

C9H12N2O3 — CID 90162209

IUPAC1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid
SMILESCC(C)n1nc(C(=O)O)c2c1COC2
InChIInChI=1S/C9H12N2O3/c1-5(2)11-7-4-14-3-6(7)8(10-11)9(12)13/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyWRYPOQASMOTTLJ-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.19
Rot. Bonds2

About 1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid

1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid (PubChem CID 90162209) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid
PubChem CID90162209
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid
SMILESCC(C)n1nc(C(=O)O)c2c1COC2
InChIInChI=1S/C9H12N2O3/c1-5(2)11-7-4-14-3-6(7)8(10-11)9(12)13/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyWRYPOQASMOTTLJ-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde
CID 112711170
5-bromo-4-tert-butyl-1-propan-2-ylpyrazole-3-carboxylic acid
CID 117246764
4-bromo-5-cyclobutyl-1-propan-2-ylpyrazole-3-carboxylic acid
CID 116858369
1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 83917892
2-(2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)acetic acid
CID 121214446
5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylic acid
CID 105450680
1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
CID 105439556
4-chloro-5-ethyl-1-propan-2-ylpyrazole-3-carboxylic acid
CID 83705085
1-tert-butyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 105461793
5-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 177302743
(2S,4R)-3,3,9-trimethyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid
CID 72793720
(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-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid?
The IUPAC name of 1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid (CID 90162209) is 1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid is CC(C)n1nc(C(=O)O)c2c1COC2.
What is the InChIKey of 1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid?
The InChIKey is WRYPOQASMOTTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5(2)11-7-4-14-3-6(7)8(10-11)9(12)13/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid?
1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid is sourced from PubChem (CID 90162209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).