1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclopropane-1-carboxylic acid

C9H12N2O3 — CID 83856705

IUPAC1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclopropane-1-carboxylic acid
SMILESCn1c(C2(C(=O)O)CC2)cc(=O)n1C
InChIInChI=1S/C9H12N2O3/c1-10-6(5-7(12)11(10)2)9(3-4-9)8(13)14/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyASEWWSXSKSMDJO-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.16
Rot. Bonds2

About 1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclopropane-1-carboxylic acid

1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 83856705) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclopropane-1-carboxylic acid
PubChem CID83856705
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclopropane-1-carboxylic acid
SMILESCn1c(C2(C(=O)O)CC2)cc(=O)n1C
InChIInChI=1S/C9H12N2O3/c1-10-6(5-7(12)11(10)2)9(3-4-9)8(13)14/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyASEWWSXSKSMDJO-UHFFFAOYSA-N
XLogP-0.16
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-5-oxo-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid
CID 83846716
1-(2-methyl-3-oxo-1H-pyrazol-5-yl)cyclopropane-1-carboxylic acid
CID 83846717
2-(1,2-Dimethyl-5-oxopyrazol-3-yl)propanoic acid
CID 83856701
2-(1,2-Dimethyl-5-oxopyrazol-3-yl)butanoic acid
CID 83856702
2-(1,2-Dimethyl-5-oxopyrazol-3-yl)-2-methylpropanoic acid
CID 83856704
1-(1,2-Dimethyl-5-oxopyrazol-3-yl)cyclobutane-1-carboxylic acid
CID 83856706
3-(1,2-Dimethyl-5-oxopyrazol-3-yl)butanoic acid
CID 83856727
3-(1,2-Dimethyl-5-oxopyrazol-3-yl)-2-methylpropanoic acid
CID 83856728
3-(1,2-Dimethyl-5-oxopyrazol-3-yl)-3-methylbutanoic acid
CID 83856729
3-(1,2-Dimethyl-5-oxopyrazol-3-yl)-2,2-dimethylpropanoic acid
CID 83856730
1-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)cyclopropane-1-carboxylic acid
CID 83857003
2-(1,2-Dimethyl-5-oxopyrazol-3-yl)-3-methylbutanoic acid
CID 112710665

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclopropane-1-carboxylic acid (CID 83856705) is 1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclopropane-1-carboxylic acid is Cn1c(C2(C(=O)O)CC2)cc(=O)n1C.
What is the InChIKey of 1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is ASEWWSXSKSMDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-10-6(5-7(12)11(10)2)9(3-4-9)8(13)14/h5H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclopropane-1-carboxylic acid?
1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethyl-5-oxopyrazol-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83856705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).