1-[3-(oxolan-2-yl)propyl]pyrazole-3-carboxylic acid

C11H16N2O3 — CID 65162534

IUPAC1-[3-(oxolan-2-yl)propyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(CCCC2CCCO2)n1
InChIInChI=1S/C11H16N2O3/c14-11(15)10-5-7-13(12-10)6-1-3-9-4-2-8-16-9/h5,7,9H,1-4,6,8H2,(H,14,15)
InChIKeyCZOLEKAEMZEJJZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.54
Rot. Bonds5

About 1-[3-(oxolan-2-yl)propyl]pyrazole-3-carboxylic acid

1-[3-(oxolan-2-yl)propyl]pyrazole-3-carboxylic acid (PubChem CID 65162534) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-[3-(oxolan-2-yl)propyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(oxolan-2-yl)propyl]pyrazole-3-carboxylic acid
PubChem CID65162534
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-[3-(oxolan-2-yl)propyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(CCCC2CCCO2)n1
InChIInChI=1S/C11H16N2O3/c14-11(15)10-5-7-13(12-10)6-1-3-9-4-2-8-16-9/h5,7,9H,1-4,6,8H2,(H,14,15)
InChIKeyCZOLEKAEMZEJJZ-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 65165245
4-(oxolan-2-yl)-1-(1-phenylpyrazol-3-yl)butan-1-one
CID 105106944
1-[2-(oxolan-2-yl)ethyl]pyrazol-3-amine
CID 65161520
4-bromo-3-iodo-1-[3-(oxolan-2-yl)propyl]pyrazole
CID 79784222
1-[3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 65162308
1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one
CID 65164995
4-methyl-1-[3-(oxolan-2-yl)propyl]pyrazol-3-amine
CID 65161363
2-[3-(oxolan-2-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 116618657
1-(1-methylimidazol-4-yl)-4-(oxolan-2-yl)butan-1-one
CID 107976971
2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid
CID 79608135
4,6-dimethyl-2-oxo-1-[3-(oxolan-2-yl)propyl]pyridine-3-carboxylic acid
CID 65163089
2-[1-[3-(oxolan-2-yl)propyl]triazol-4-yl]ethanol
CID 65166430

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-2-yl)propyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[3-(oxolan-2-yl)propyl]pyrazole-3-carboxylic acid (CID 65162534) is 1-[3-(oxolan-2-yl)propyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[3-(oxolan-2-yl)propyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[3-(oxolan-2-yl)propyl]pyrazole-3-carboxylic acid is O=C(O)c1ccn(CCCC2CCCO2)n1.
What is the InChIKey of 1-[3-(oxolan-2-yl)propyl]pyrazole-3-carboxylic acid?
The InChIKey is CZOLEKAEMZEJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c14-11(15)10-5-7-13(12-10)6-1-3-9-4-2-8-16-9/h5,7,9H,1-4,6,8H2,(H,14,15).
What are the key properties of 1-[3-(oxolan-2-yl)propyl]pyrazole-3-carboxylic acid?
1-[3-(oxolan-2-yl)propyl]pyrazole-3-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-2-yl)propyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 65162534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).