3-(5-cyclopropyl-1-methylpyrazol-4-yl)propanoic acid

C10H14N2O2 — CID 83830722

IUPAC3-(5-cyclopropyl-1-methylpyrazol-4-yl)propanoic acid
SMILESCn1ncc(CCC(=O)O)c1C1CC1
InChIInChI=1S/C10H14N2O2/c1-12-10(7-2-3-7)8(6-11-12)4-5-9(13)14/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyBKYCURQXWSPUSF-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.31
Rot. Bonds4

About 3-(5-cyclopropyl-1-methylpyrazol-4-yl)propanoic acid

3-(5-cyclopropyl-1-methylpyrazol-4-yl)propanoic acid (PubChem CID 83830722) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1-methylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-cyclopropyl-1-methylpyrazol-4-yl)propanoic acid
PubChem CID83830722
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(5-cyclopropyl-1-methylpyrazol-4-yl)propanoic acid
SMILESCn1ncc(CCC(=O)O)c1C1CC1
InChIInChI=1S/C10H14N2O2/c1-12-10(7-2-3-7)8(6-11-12)4-5-9(13)14/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyBKYCURQXWSPUSF-UHFFFAOYSA-N
XLogP1.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-cyclopropyl-1-methylpyrazol-4-yl)ethanamine
CID 83826863
4-[(5-cyclopropyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 119352510
(5-cyclopropyl-1-methylpyrazol-4-yl)methanamine;dihydrochloride
CID 171340448
3-(5-cyclobutyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid
CID 105479319
3-(4-cyclopropyl-1-methylpyrazol-3-yl)propanoic acid
CID 105422903
3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid
CID 83828308
(2S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 98771763
N-cyclopropyl-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 136568183
4-(4-bromo-5-cyclopropylpyrazol-1-yl)butanoic acid
CID 19620077
1-[(3S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-phenylethanone
CID 95870310
1-methyl-5-(thian-4-yl)pyrazole-4-carboxylic acid
CID 105483999
4-(4-benzyl-1-methylpyrazol-5-yl)piperidine
CID 18686313

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1-methylpyrazol-4-yl)propanoic acid?
The IUPAC name of 3-(5-cyclopropyl-1-methylpyrazol-4-yl)propanoic acid (CID 83830722) is 3-(5-cyclopropyl-1-methylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(5-cyclopropyl-1-methylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-(5-cyclopropyl-1-methylpyrazol-4-yl)propanoic acid is Cn1ncc(CCC(=O)O)c1C1CC1.
What is the InChIKey of 3-(5-cyclopropyl-1-methylpyrazol-4-yl)propanoic acid?
The InChIKey is BKYCURQXWSPUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12-10(7-2-3-7)8(6-11-12)4-5-9(13)14/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 3-(5-cyclopropyl-1-methylpyrazol-4-yl)propanoic acid?
3-(5-cyclopropyl-1-methylpyrazol-4-yl)propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1-methylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 83830722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).