(3S)-3,4-dihydropyrazole-2,3-dicarboxylic acid

C5H6N2O4 — CID 140600044

IUPAC(3S)-3,4-dihydropyrazole-2,3-dicarboxylic acid
SMILESO=C(O)[C@@H]1CC=NN1C(=O)O
InChIInChI=1S/C5H6N2O4/c8-4(9)3-1-2-6-7(3)5(10)11/h2-3H,1H2,(H,8,9)(H,10,11)/t3-/m0/s1
InChIKeyPSEFWMGUIGBSMX-VKHMYHEASA-N
MW158.11 g/mol
LogP-0.19
Rot. Bonds1

About (3S)-3,4-dihydropyrazole-2,3-dicarboxylic acid

(3S)-3,4-dihydropyrazole-2,3-dicarboxylic acid (PubChem CID 140600044) has the molecular formula C5H6N2O4 and a molecular weight of 158.11 g/mol. Its IUPAC name is (3S)-3,4-dihydropyrazole-2,3-dicarboxylic acid.

Molecular Properties

Compound Name(3S)-3,4-dihydropyrazole-2,3-dicarboxylic acid
PubChem CID140600044
Molecular FormulaC5H6N2O4
Molecular Weight158.11 g/mol
Exact Mass158.03
IUPAC Name(3S)-3,4-dihydropyrazole-2,3-dicarboxylic acid
SMILESO=C(O)[C@@H]1CC=NN1C(=O)O
InChIInChI=1S/C5H6N2O4/c8-4(9)3-1-2-6-7(3)5(10)11/h2-3H,1H2,(H,8,9)(H,10,11)/t3-/m0/s1
InChIKeyPSEFWMGUIGBSMX-VKHMYHEASA-N
XLogP-0.19
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 131869061
CID 131869061
3-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid
CID 89427912
2,2-dimethyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)propan-1-one
CID 122703691
6-oxo-2,3-dihydropyridine-1,2-dicarboxylic acid
CID 77223286
ethyl 3-phenyl-3,4-dihydropyrazole-2-carboxylate
CID 3079077
piperidine-1,2,6-tricarboxylic acid
CID 22987898
(3-phenyl-3,4-dihydropyrazol-2-yl)-[3-(1-phenylethylidene)azetidin-1-yl]methanone
CID 150480580
1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 167538208
3H-1,2,5-thiadiazole-2-carboxylic acid
CID 70236135
5-[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazole-2-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 175196380
[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 152623863
4-(dimethylamino)pyrrolidine-1,2-dicarboxylic acid
CID 76529635

Frequently Asked Questions

What is the IUPAC name of (3S)-3,4-dihydropyrazole-2,3-dicarboxylic acid?
The IUPAC name of (3S)-3,4-dihydropyrazole-2,3-dicarboxylic acid (CID 140600044) is (3S)-3,4-dihydropyrazole-2,3-dicarboxylic acid.
What is the SMILES notation for (3S)-3,4-dihydropyrazole-2,3-dicarboxylic acid?
The canonical SMILES for (3S)-3,4-dihydropyrazole-2,3-dicarboxylic acid is O=C(O)[C@@H]1CC=NN1C(=O)O.
What is the InChIKey of (3S)-3,4-dihydropyrazole-2,3-dicarboxylic acid?
The InChIKey is PSEFWMGUIGBSMX-VKHMYHEASA-N. The full InChI is InChI=1S/C5H6N2O4/c8-4(9)3-1-2-6-7(3)5(10)11/h2-3H,1H2,(H,8,9)(H,10,11)/t3-/m0/s1.
What are the key properties of (3S)-3,4-dihydropyrazole-2,3-dicarboxylic acid?
(3S)-3,4-dihydropyrazole-2,3-dicarboxylic acid has a molecular weight of 158.11 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,4-dihydropyrazole-2,3-dicarboxylic acid is sourced from PubChem (CID 140600044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).