4-hydroxy-2,3-dimethyl-4-(1-propylpyrazol-4-yl)butanoic acid

C12H20N2O3 — CID 103572854

IUPAC4-hydroxy-2,3-dimethyl-4-(1-propylpyrazol-4-yl)butanoic acid
SMILESCCCn1cc(C(O)C(C)C(C)C(=O)O)cn1
InChIInChI=1S/C12H20N2O3/c1-4-5-14-7-10(6-13-14)11(15)8(2)9(3)12(16)17/h6-9,11,15H,4-5H2,1-3H3,(H,16,17)
InChIKeySJDFOQWKUUDGMX-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.68
Rot. Bonds6

About 4-hydroxy-2,3-dimethyl-4-(1-propylpyrazol-4-yl)butanoic acid

4-hydroxy-2,3-dimethyl-4-(1-propylpyrazol-4-yl)butanoic acid (PubChem CID 103572854) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-hydroxy-2,3-dimethyl-4-(1-propylpyrazol-4-yl)butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2,3-dimethyl-4-(1-propylpyrazol-4-yl)butanoic acid
PubChem CID103572854
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-hydroxy-2,3-dimethyl-4-(1-propylpyrazol-4-yl)butanoic acid
SMILESCCCn1cc(C(O)C(C)C(C)C(=O)O)cn1
InChIInChI=1S/C12H20N2O3/c1-4-5-14-7-10(6-13-14)11(15)8(2)9(3)12(16)17/h6-9,11,15H,4-5H2,1-3H3,(H,16,17)
InChIKeySJDFOQWKUUDGMX-UHFFFAOYSA-N
XLogP1.68
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 114981633
2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 63895086
2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 103572279
3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide
CID 171898832
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 116502650
2-[(1-ethylpyrazol-4-yl)-hydroxymethyl]-3-methylbutanoic acid
CID 103570644
2-amino-2-(1-propylpyrazol-4-yl)acetamide
CID 103572056
4-butan-2-yl-1-propylpyrazole
CID 130194925
2-amino-3-phenyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 103572276
tert-butyl N-[2,3-dihydroxy-3-(1-propylpyrazol-4-yl)propyl]carbamate
CID 170831773
4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid
CID 103570340

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,3-dimethyl-4-(1-propylpyrazol-4-yl)butanoic acid?
The IUPAC name of 4-hydroxy-2,3-dimethyl-4-(1-propylpyrazol-4-yl)butanoic acid (CID 103572854) is 4-hydroxy-2,3-dimethyl-4-(1-propylpyrazol-4-yl)butanoic acid.
What is the SMILES notation for 4-hydroxy-2,3-dimethyl-4-(1-propylpyrazol-4-yl)butanoic acid?
The canonical SMILES for 4-hydroxy-2,3-dimethyl-4-(1-propylpyrazol-4-yl)butanoic acid is CCCn1cc(C(O)C(C)C(C)C(=O)O)cn1.
What is the InChIKey of 4-hydroxy-2,3-dimethyl-4-(1-propylpyrazol-4-yl)butanoic acid?
The InChIKey is SJDFOQWKUUDGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-4-5-14-7-10(6-13-14)11(15)8(2)9(3)12(16)17/h6-9,11,15H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 4-hydroxy-2,3-dimethyl-4-(1-propylpyrazol-4-yl)butanoic acid?
4-hydroxy-2,3-dimethyl-4-(1-propylpyrazol-4-yl)butanoic acid has a molecular weight of 240.30 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,3-dimethyl-4-(1-propylpyrazol-4-yl)butanoic acid is sourced from PubChem (CID 103572854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).