2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate

C8H11N2O2- — CID 75655752

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
SMILESCc1n[nH]c(C)c1C(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)/p-1
InChIKeyNZNHRSWYGFKKBQ-UHFFFAOYSA-M
MW167.19 g/mol
LogP-0.12
Rot. Bonds2

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate

2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate (PubChem CID 75655752) has the molecular formula C8H11N2O2- and a molecular weight of 167.19 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
PubChem CID75655752
Molecular FormulaC8H11N2O2-
Molecular Weight167.19 g/mol
Exact Mass167.08
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
SMILESCc1n[nH]c(C)c1C(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)/p-1
InChIKeyNZNHRSWYGFKKBQ-UHFFFAOYSA-M
XLogP-0.12
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 51467588
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)-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
N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 20950809
N-(4-bromo-2-hydroxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 86788484
4-(3,5-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroxybutanamide
CID 171898617
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(methanesulfonamido)acetamide
CID 131939244
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)-N-(3-methoxyphenyl)propanamide
CID 20950780

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate (CID 75655752) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate is Cc1n[nH]c(C)c1C(C)C(=O)[O-].
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate?
The InChIKey is NZNHRSWYGFKKBQ-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate?
2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate has a molecular weight of 167.19 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate is sourced from PubChem (CID 75655752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).