3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid

C9H11N3O4 — CID 104855741

IUPAC3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)[C@@H]2CCCO2)n[nH]1
InChIInChI=1S/C9H11N3O4/c13-8(6-2-1-3-16-6)10-7-4-5(9(14)15)11-12-7/h4,6H,1-3H2,(H,14,15)(H2,10,11,12,13)/t6-/m0/s1
InChIKeyVKOZHPNCZUYJCP-LURJTMIESA-N
MW225.20 g/mol
LogP0.23
Rot. Bonds3

About 3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid

3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 104855741) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid
PubChem CID104855741
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)[C@@H]2CCCO2)n[nH]1
InChIInChI=1S/C9H11N3O4/c13-8(6-2-1-3-16-6)10-7-4-5(9(14)15)11-12-7/h4,6H,1-3H2,(H,14,15)(H2,10,11,12,13)/t6-/m0/s1
InChIKeyVKOZHPNCZUYJCP-LURJTMIESA-N
XLogP0.23
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 103872756
(2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 113342671
(2S)-N-(5-propyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 103873136
(2R)-N-[5-(2-phenylethyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
CID 95635352
(2R)-N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
CID 52517109
5-[[(2S)-oxolane-2-carbonyl]amino]benzene-1,3-dicarboxylic acid
CID 893641
3-[(2-ethyloxolane-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 114105241
N-(5-propyl-1H-pyrazol-3-yl)oxane-2-carboxamide
CID 112702851
5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 104855894
(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide
CID 7346608
5-(oxane-2-carbonylamino)benzene-1,3-dicarboxylic acid
CID 62214026
(2S)-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
CID 95280930

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid (CID 104855741) is 3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(NC(=O)[C@@H]2CCCO2)n[nH]1.
What is the InChIKey of 3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is VKOZHPNCZUYJCP-LURJTMIESA-N. The full InChI is InChI=1S/C9H11N3O4/c13-8(6-2-1-3-16-6)10-7-4-5(9(14)15)11-12-7/h4,6H,1-3H2,(H,14,15)(H2,10,11,12,13)/t6-/m0/s1.
What are the key properties of 3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid?
3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 225.20 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 104855741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).