1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylic acid

C12H18N2O3 — CID 114621655

IUPAC1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylic acid
SMILESCC1(C)CC(n2ccc(C(=O)O)n2)C(C)(C)O1
InChIInChI=1S/C12H18N2O3/c1-11(2)7-9(12(3,4)17-11)14-6-5-8(13-14)10(15)16/h5-6,9H,7H2,1-4H3,(H,15,16)
InChIKeyBIFHCMMNMWFUOS-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.10
Rot. Bonds2

About 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylic acid

1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylic acid (PubChem CID 114621655) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylic acid
PubChem CID114621655
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylic acid
SMILESCC1(C)CC(n2ccc(C(=O)O)n2)C(C)(C)O1
InChIInChI=1S/C12H18N2O3/c1-11(2)7-9(12(3,4)17-11)14-6-5-8(13-14)10(15)16/h5-6,9H,7H2,1-4H3,(H,15,16)
InChIKeyBIFHCMMNMWFUOS-UHFFFAOYSA-N
XLogP2.10
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2,5,5-tetramethyloxolan-3-yl)-1,2,4-triazol-3-amine
CID 114621254
N-[[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-yl]methyl]propan-1-amine
CID 114624162
1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole
CID 91636373
1-(4-methylcyclohexyl)pyrazole-3-carboxylic acid
CID 64748929
ethyl 4-amino-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylate
CID 107344940
1-(6-oxaspiro[4.5]decan-9-yl)pyrazole-3-carboxylic acid
CID 79893998
1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-4-carboxylic acid
CID 79933599
1-(2,2,5,5-tetramethyloxolan-3-yl)-2,3-dihydroindole-5-carboxylic acid
CID 114621832
1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid
CID 79934218
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrazole-3-carboxylic acid
CID 79894303
4-chloro-3-nitro-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole
CID 114623704
2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid
CID 79933505

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylic acid (CID 114621655) is 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylic acid is CC1(C)CC(n2ccc(C(=O)O)n2)C(C)(C)O1.
What is the InChIKey of 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylic acid?
The InChIKey is BIFHCMMNMWFUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-11(2)7-9(12(3,4)17-11)14-6-5-8(13-14)10(15)16/h5-6,9H,7H2,1-4H3,(H,15,16).
What are the key properties of 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylic acid?
1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 114621655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).