(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid

C8H12N2O2 — CID 51467588

IUPAC(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
SMILESCc1n[nH]c(C)c1[C@H](C)C(=O)O
InChIInChI=1S/C8H12N2O2/c1-4(8(11)12)7-5(2)9-10-6(7)3/h4H,1-3H3,(H,9,10)(H,11,12)/t4-/m0/s1
InChIKeyNZNHRSWYGFKKBQ-BYPYZUCNSA-N
MW168.20 g/mol
LogP1.21
Rot. Bonds2

About (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid

(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid (PubChem CID 51467588) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
PubChem CID51467588
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
SMILESCc1n[nH]c(C)c1[C@H](C)C(=O)O
InChIInChI=1S/C8H12N2O2/c1-4(8(11)12)7-5(2)9-10-6(7)3/h4H,1-3H3,(H,9,10)(H,11,12)/t4-/m0/s1
InChIKeyNZNHRSWYGFKKBQ-BYPYZUCNSA-N
XLogP1.21
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
CID 75655752
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methylpropylamino)acetic acid
CID 64975118
2-[acetyl(propan-2-yl)amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 64975062
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 20950805
N-(2,4-dimethylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 20950798
1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
CID 154754283
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-3-phenylazetidin-1-yl)propan-1-one
CID 146092340
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 64975087
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(hexanoylamino)acetic acid
CID 95207705
N-(4-bromo-2-hydroxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 86788484
N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 20950809
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]acetic acid
CID 50952889

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid?
The IUPAC name of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid (CID 51467588) is (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid?
The canonical SMILES for (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid is Cc1n[nH]c(C)c1[C@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid?
The InChIKey is NZNHRSWYGFKKBQ-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4(8(11)12)7-5(2)9-10-6(7)3/h4H,1-3H3,(H,9,10)(H,11,12)/t4-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid?
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid has a molecular weight of 168.20 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid is sourced from PubChem (CID 51467588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).