4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid

C10H16N2O3 — CID 103570340

IUPAC4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid
SMILESCCn1cc(C(O)C(C)CC(=O)O)cn1
InChIInChI=1S/C10H16N2O3/c1-3-12-6-8(5-11-12)10(15)7(2)4-9(13)14/h5-7,10,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyVGVNXVRHNVYDSH-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.05
Rot. Bonds5

About 4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid

4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid (PubChem CID 103570340) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid
PubChem CID103570340
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid
SMILESCCn1cc(C(O)C(C)CC(=O)O)cn1
InChIInChI=1S/C10H16N2O3/c1-3-12-6-8(5-11-12)10(15)7(2)4-9(13)14/h5-7,10,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyVGVNXVRHNVYDSH-UHFFFAOYSA-N
XLogP1.05
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylpyrazol-4-yl)-hydroxymethyl]-3-methylbutanoic acid
CID 103570644
1-(1-ethylpyrazol-4-yl)propane-1,2-diol
CID 103452757
2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol
CID 63894691
2-[1-(1-ethylpyrazol-4-yl)ethyl-methylamino]acetic acid
CID 65056387
2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol
CID 103570009
2-amino-2-(1-ethylpyrazol-4-yl)acetic acid
CID 83873853
2-(1-ethylpyrazol-4-yl)sulfanylacetic acid
CID 129450918
2-cyclopropyl-1-(1-ethylpyrazol-4-yl)propan-1-ol
CID 115779051
4-chloro-4-(1-ethylpyrazol-4-yl)butanoic acid
CID 103571317
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
3-[(1-ethylpyrazol-4-yl)methylsulfonyl]butanoic acid
CID 66113019
N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]acetamide
CID 157036975

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid (CID 103570340) is 4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid is CCn1cc(C(O)C(C)CC(=O)O)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid?
The InChIKey is VGVNXVRHNVYDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-12-6-8(5-11-12)10(15)7(2)4-9(13)14/h5-7,10,15H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid?
4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid has a molecular weight of 212.25 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 103570340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).