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

C8H12N2O2 — CID 23005836

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
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)
InChIKeyNZNHRSWYGFKKBQ-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.21
Rot. Bonds2

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid (PubChem CID 23005836) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
PubChem CID23005836
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
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)
InChIKeyNZNHRSWYGFKKBQ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid (CID 23005836) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid is Cc1n[nH]c(C)c1C(C)C(=O)O.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid?
The InChIKey is NZNHRSWYGFKKBQ-UHFFFAOYSA-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).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid?
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 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid is sourced from PubChem (CID 23005836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).