2-(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)acetic acid

C8H10N2O3 — CID 83817103

IUPAC2-(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)acetic acid
SMILESO=C(O)Cc1c(C2CC2)[nH][nH]c1=O
InChIInChI=1S/C8H10N2O3/c11-6(12)3-5-7(4-1-2-4)9-10-8(5)13/h4H,1-3H2,(H,11,12)(H2,9,10,13)
InChIKeyWJOHJJDCCYTDFR-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.21
Rot. Bonds3

About 2-(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)acetic acid

2-(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)acetic acid (PubChem CID 83817103) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)acetic acid
PubChem CID83817103
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)acetic acid
SMILESO=C(O)Cc1c(C2CC2)[nH][nH]c1=O
InChIInChI=1S/C8H10N2O3/c11-6(12)3-5-7(4-1-2-4)9-10-8(5)13/h4H,1-3H2,(H,11,12)(H2,9,10,13)
InChIKeyWJOHJJDCCYTDFR-UHFFFAOYSA-N
XLogP0.21
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(5-Methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-YL)acetic acid
CID 2069027
2-(3-Methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetate
CID 2069026
3-(4-Methyl-5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid
CID 82412564
2-(4-Methyl-5-oxo-1,2-dihydropyrazol-3-yl)butanoic acid
CID 83856943
4-Amino-2-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)butanoic acid
CID 83856953
3-(4-Methyl-5-oxo-1,2-dihydropyrazol-3-yl)butanoic acid
CID 83856970
2-Methyl-3-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid
CID 83856971
2,2-Dimethyl-3-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)propanoic acid
CID 83856973
2-(3-Oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)acetic acid
CID 84081815
2-(3-Ethyl-5-oxo-1,2-dihydropyrazol-4-yl)acetic acid
CID 84081816
2-(3-Cyclobutyl-5-oxo-1,2-dihydropyrazol-4-yl)acetic acid
CID 84081817
2-(3-Cyclopentyl-5-oxo-1,2-dihydropyrazol-4-yl)acetic acid
CID 84081818

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)acetic acid?
The IUPAC name of 2-(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)acetic acid (CID 83817103) is 2-(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)acetic acid is O=C(O)Cc1c(C2CC2)[nH][nH]c1=O.
What is the InChIKey of 2-(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)acetic acid?
The InChIKey is WJOHJJDCCYTDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-6(12)3-5-7(4-1-2-4)9-10-8(5)13/h4H,1-3H2,(H,11,12)(H2,9,10,13).
What are the key properties of 2-(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)acetic acid?
2-(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)acetic acid has a molecular weight of 182.18 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-5-oxo-1,2-dihydropyrazol-4-yl)acetic acid is sourced from PubChem (CID 83817103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).