2-(1,5-dimethylpyrazol-4-yl)acetic acid

C7H10N2O2 — CID 59229531

IUPAC2-(1,5-dimethylpyrazol-4-yl)acetic acid
SMILESCc1c(CC(=O)O)cnn1C
InChIInChI=1S/C7H10N2O2/c1-5-6(3-7(10)11)4-8-9(5)2/h4H,3H2,1-2H3,(H,10,11)
InChIKeyKQZIPVXVEWOYJR-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.36
Rot. Bonds2

About 2-(1,5-dimethylpyrazol-4-yl)acetic acid

2-(1,5-dimethylpyrazol-4-yl)acetic acid (PubChem CID 59229531) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)acetic acid
PubChem CID59229531
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)acetic acid
SMILESCc1c(CC(=O)O)cnn1C
InChIInChI=1S/C7H10N2O2/c1-5-6(3-7(10)11)4-8-9(5)2/h4H,3H2,1-2H3,(H,10,11)
InChIKeyKQZIPVXVEWOYJR-UHFFFAOYSA-N
XLogP0.36
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid
CID 7131172
2-(trimethyl-1H-pyrazol-4-yl)acetic acid
CID 16227249
2-(1,4-dimethyl-1H-pyrazol-3-yl)acetic acid
CID 67528971
2-(trimethyl-1H-pyrazol-4-yl)propanoic acid
CID 23005838
2-(3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl)acetic acid
CID 23005849
2-(1,3-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 49879438
2-(3-methyl-1H-pyrazol-4-yl)acetic acid
CID 54572443
[1-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid
CID 16774284
2-[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid
CID 47002204
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]acetic acid
CID 63935788
2-(1-(ethoxymethyl)-3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 65369258
2-amino-2-(1,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 75355602

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)acetic acid (CID 59229531) is 2-(1,5-dimethylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)acetic acid is Cc1c(CC(=O)O)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)acetic acid?
The InChIKey is KQZIPVXVEWOYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5-6(3-7(10)11)4-8-9(5)2/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)acetic acid?
2-(1,5-dimethylpyrazol-4-yl)acetic acid has a molecular weight of 154.17 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 59229531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).