(2S,3S)-3-methyl-2-(3-methylpyrazol-1-yl)pentanoic acid

C10H16N2O2 — CID 83484770

IUPAC(2S,3S)-3-methyl-2-(3-methylpyrazol-1-yl)pentanoic acid
SMILESCC[C@H](C)[C@@H](C(=O)O)n1ccc(C)n1
InChIInChI=1S/C10H16N2O2/c1-4-7(2)9(10(13)14)12-6-5-8(3)11-12/h5-7,9H,4H2,1-3H3,(H,13,14)/t7-,9-/m0/s1
InChIKeyLZJTZTHNEDNJBM-CBAPKCEASA-N
MW196.25 g/mol
LogP1.86
Rot. Bonds4

About (2S,3S)-3-methyl-2-(3-methylpyrazol-1-yl)pentanoic acid

(2S,3S)-3-methyl-2-(3-methylpyrazol-1-yl)pentanoic acid (PubChem CID 83484770) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-(3-methylpyrazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-(3-methylpyrazol-1-yl)pentanoic acid
PubChem CID83484770
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(2S,3S)-3-methyl-2-(3-methylpyrazol-1-yl)pentanoic acid
SMILESCC[C@H](C)[C@@H](C(=O)O)n1ccc(C)n1
InChIInChI=1S/C10H16N2O2/c1-4-7(2)9(10(13)14)12-6-5-8(3)11-12/h5-7,9H,4H2,1-3H3,(H,13,14)/t7-,9-/m0/s1
InChIKeyLZJTZTHNEDNJBM-CBAPKCEASA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-1H-pyrazol-1-yl)propanoic acid
CID 6485706
2-methyl-3-(3-methyl-1H-pyrazol-1-yl)propanoic acid
CID 3137773
(5-methyl-1H-pyrazol-1-yl)acetic acid
CID 7018400
2-(3-methyl-1H-pyrazol-1-yl)acetic acid
CID 5012329
2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
CID 19616392
2-(3-cyclopropyl-1H-pyrazol-1-yl)propanoic acid
CID 19621365
1-(5-methyl-1H-pyrazol-1-yl)cyclopropane-1-carboxylic acid
CID 89853669
1-(3-methyl-1H-pyrazol-1-yl)cyclopropane-1-carboxylic acid
CID 89853986
1H-Pyrazole-1-acetic acid, alpha-ethyl-4-iodo-3-methyl-
CID 60136727
2-(4-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)butanoic acid
CID 119055638
2-(3-methyl-1H-pyrazol-1-yl)acetic acid hydrochloride
CID 119057094
2-(5-cyclopropyl-1H-pyrazol-1-yl)pentanoic acid
CID 137942806

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-(3-methylpyrazol-1-yl)pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-(3-methylpyrazol-1-yl)pentanoic acid (CID 83484770) is (2S,3S)-3-methyl-2-(3-methylpyrazol-1-yl)pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-(3-methylpyrazol-1-yl)pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-(3-methylpyrazol-1-yl)pentanoic acid is CC[C@H](C)[C@@H](C(=O)O)n1ccc(C)n1.
What is the InChIKey of (2S,3S)-3-methyl-2-(3-methylpyrazol-1-yl)pentanoic acid?
The InChIKey is LZJTZTHNEDNJBM-CBAPKCEASA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-7(2)9(10(13)14)12-6-5-8(3)11-12/h5-7,9H,4H2,1-3H3,(H,13,14)/t7-,9-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-(3-methylpyrazol-1-yl)pentanoic acid?
(2S,3S)-3-methyl-2-(3-methylpyrazol-1-yl)pentanoic acid has a molecular weight of 196.25 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-(3-methylpyrazol-1-yl)pentanoic acid is sourced from PubChem (CID 83484770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).