1-ethyl-5-propan-2-yloxypyrazole-3-carboxylic acid

C9H14N2O3 — CID 67143426

IUPAC1-ethyl-5-propan-2-yloxypyrazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)cc1OC(C)C
InChIInChI=1S/C9H14N2O3/c1-4-11-8(14-6(2)3)5-7(10-11)9(12)13/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyCIAHSCDAVAWQGA-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.39
Rot. Bonds4

About 1-ethyl-5-propan-2-yloxypyrazole-3-carboxylic acid

1-ethyl-5-propan-2-yloxypyrazole-3-carboxylic acid (PubChem CID 67143426) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-ethyl-5-propan-2-yloxypyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-propan-2-yloxypyrazole-3-carboxylic acid
PubChem CID67143426
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-ethyl-5-propan-2-yloxypyrazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)cc1OC(C)C
InChIInChI=1S/C9H14N2O3/c1-4-11-8(14-6(2)3)5-7(10-11)9(12)13/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyCIAHSCDAVAWQGA-UHFFFAOYSA-N
XLogP1.39
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-propan-2-yloxypyrazole-3-carboxylic acid?
The IUPAC name of 1-ethyl-5-propan-2-yloxypyrazole-3-carboxylic acid (CID 67143426) is 1-ethyl-5-propan-2-yloxypyrazole-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-propan-2-yloxypyrazole-3-carboxylic acid?
The canonical SMILES for 1-ethyl-5-propan-2-yloxypyrazole-3-carboxylic acid is CCn1nc(C(=O)O)cc1OC(C)C.
What is the InChIKey of 1-ethyl-5-propan-2-yloxypyrazole-3-carboxylic acid?
The InChIKey is CIAHSCDAVAWQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-4-11-8(14-6(2)3)5-7(10-11)9(12)13/h5-6H,4H2,1-3H3,(H,12,13).
What are the key properties of 1-ethyl-5-propan-2-yloxypyrazole-3-carboxylic acid?
1-ethyl-5-propan-2-yloxypyrazole-3-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-propan-2-yloxypyrazole-3-carboxylic acid is sourced from PubChem (CID 67143426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).