2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]cyclopropane-1-carboxylic acid

C13H20N2O2 — CID 112718318

IUPAC2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]cyclopropane-1-carboxylic acid
SMILESCc1nn(C)c(C)c1CC(C)C1CC1C(=O)O
InChIInChI=1S/C13H20N2O2/c1-7(10-6-12(10)13(16)17)5-11-8(2)14-15(4)9(11)3/h7,10,12H,5-6H2,1-4H3,(H,16,17)
InChIKeyWRBOEBCUKNYKIH-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.94
Rot. Bonds4

About 2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]cyclopropane-1-carboxylic acid

2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]cyclopropane-1-carboxylic acid (PubChem CID 112718318) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]cyclopropane-1-carboxylic acid
PubChem CID112718318
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]cyclopropane-1-carboxylic acid
SMILESCc1nn(C)c(C)c1CC(C)C1CC1C(=O)O
InChIInChI=1S/C13H20N2O2/c1-7(10-6-12(10)13(16)17)5-11-8(2)14-15(4)9(11)3/h7,10,12H,5-6H2,1-4H3,(H,16,17)
InChIKeyWRBOEBCUKNYKIH-UHFFFAOYSA-N
XLogP1.94
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122146158
(3R)-1-[(2S)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124692021
(3S,4S)-4-(trifluoromethyl)-1-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122003767
2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83925000
2-cyclopropyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
CID 119213844
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031336
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
(2S)-2-methyl-N-(1-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95778785
2-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]propanoic acid
CID 119209411
4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 66222682
5-methyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 122117892
trans-(1R,2S)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 59617928

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]cyclopropane-1-carboxylic acid (CID 112718318) is 2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]cyclopropane-1-carboxylic acid is Cc1nn(C)c(C)c1CC(C)C1CC1C(=O)O.
What is the InChIKey of 2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]cyclopropane-1-carboxylic acid?
The InChIKey is WRBOEBCUKNYKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-7(10-6-12(10)13(16)17)5-11-8(2)14-15(4)9(11)3/h7,10,12H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]cyclopropane-1-carboxylic acid?
2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]cyclopropane-1-carboxylic acid has a molecular weight of 236.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 112718318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).