5-propan-2-yl-1H-pyrazole-3-carboxylic acid

C7H10N2O2 — CID 776421

IUPAC5-propan-2-yl-1H-pyrazole-3-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)n[nH]1
InChIInChI=1S/C7H10N2O2/c1-4(2)5-3-6(7(10)11)9-8-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
InChIKeyCHWXKAHFWLSLOQ-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.23
Rot. Bonds2

About 5-propan-2-yl-1H-pyrazole-3-carboxylic acid

5-propan-2-yl-1H-pyrazole-3-carboxylic acid (PubChem CID 776421) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-propan-2-yl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-propan-2-yl-1H-pyrazole-3-carboxylic acid
PubChem CID776421
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name5-propan-2-yl-1H-pyrazole-3-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)n[nH]1
InChIInChI=1S/C7H10N2O2/c1-4(2)5-3-6(7(10)11)9-8-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
InChIKeyCHWXKAHFWLSLOQ-UHFFFAOYSA-N
XLogP1.23
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-propan-2-yl-1H-pyrazole-3-carboxylic acid (CID 776421) is 5-propan-2-yl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-propan-2-yl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-propan-2-yl-1H-pyrazole-3-carboxylic acid is CC(C)c1cc(C(=O)O)n[nH]1.
What is the InChIKey of 5-propan-2-yl-1H-pyrazole-3-carboxylic acid?
The InChIKey is CHWXKAHFWLSLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4(2)5-3-6(7(10)11)9-8-5/h3-4H,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 5-propan-2-yl-1H-pyrazole-3-carboxylic acid?
5-propan-2-yl-1H-pyrazole-3-carboxylic acid has a molecular weight of 154.17 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 776421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).