2-(5-ethyl-1-propan-2-ylpyrazol-3-yl)acetic acid

C10H16N2O2 — CID 105450054

IUPAC2-(5-ethyl-1-propan-2-ylpyrazol-3-yl)acetic acid
SMILESCCc1cc(CC(=O)O)nn1C(C)C
InChIInChI=1S/C10H16N2O2/c1-4-9-5-8(6-10(13)14)11-12(9)7(2)3/h5,7H,4,6H2,1-3H3,(H,13,14)
InChIKeyTTYXITNTBBQGPO-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.65
Rot. Bonds4

About 2-(5-ethyl-1-propan-2-ylpyrazol-3-yl)acetic acid

2-(5-ethyl-1-propan-2-ylpyrazol-3-yl)acetic acid (PubChem CID 105450054) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(5-ethyl-1-propan-2-ylpyrazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-ethyl-1-propan-2-ylpyrazol-3-yl)acetic acid
PubChem CID105450054
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(5-ethyl-1-propan-2-ylpyrazol-3-yl)acetic acid
SMILESCCc1cc(CC(=O)O)nn1C(C)C
InChIInChI=1S/C10H16N2O2/c1-4-9-5-8(6-10(13)14)11-12(9)7(2)3/h5,7H,4,6H2,1-3H3,(H,13,14)
InChIKeyTTYXITNTBBQGPO-UHFFFAOYSA-N
XLogP1.65
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-ethyl-1-propan-2-ylpyrazol-3-yl)-2-methylpropanoic acid
CID 105482258
(2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid
CID 107427777
methyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate
CID 107427779
2-(3,5-diethylpyrazol-1-yl)propanehydrazide
CID 82699658
2-(1-propan-2-yl-3-propylpyrazol-5-yl)sulfanylacetic acid
CID 62408184
2-(3,5-diethylpyrazol-1-yl)-1-(4-methylphenyl)propan-1-one
CID 82693837
2-[4-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]acetic acid
CID 105345519
3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid
CID 82693106
3-amino-2-(3,5-diethylpyrazol-1-yl)butan-1-ol
CID 82693019
3-(3,5-diethylpyrazol-1-yl)-N-ethylbutan-1-amine
CID 82694867
3-ethyl-5-methyl-1-propan-2-ylpyrazole
CID 58977189
2-(5-bromo-1-propylpyrazol-3-yl)acetic acid
CID 115046013

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1-propan-2-ylpyrazol-3-yl)acetic acid?
The IUPAC name of 2-(5-ethyl-1-propan-2-ylpyrazol-3-yl)acetic acid (CID 105450054) is 2-(5-ethyl-1-propan-2-ylpyrazol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-ethyl-1-propan-2-ylpyrazol-3-yl)acetic acid?
The canonical SMILES for 2-(5-ethyl-1-propan-2-ylpyrazol-3-yl)acetic acid is CCc1cc(CC(=O)O)nn1C(C)C.
What is the InChIKey of 2-(5-ethyl-1-propan-2-ylpyrazol-3-yl)acetic acid?
The InChIKey is TTYXITNTBBQGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-9-5-8(6-10(13)14)11-12(9)7(2)3/h5,7H,4,6H2,1-3H3,(H,13,14).
What are the key properties of 2-(5-ethyl-1-propan-2-ylpyrazol-3-yl)acetic acid?
2-(5-ethyl-1-propan-2-ylpyrazol-3-yl)acetic acid has a molecular weight of 196.25 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1-propan-2-ylpyrazol-3-yl)acetic acid is sourced from PubChem (CID 105450054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).