5-amino-1-ethyl-4-propan-2-ylpyrazole-3-carboxylic acid

C9H15N3O2 — CID 105450679

IUPAC5-amino-1-ethyl-4-propan-2-ylpyrazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c(C(C)C)c1N
InChIInChI=1S/C9H15N3O2/c1-4-12-8(10)6(5(2)3)7(11-12)9(13)14/h5H,4,10H2,1-3H3,(H,13,14)
InChIKeyFOCJQDXNVXGDDR-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.31
Rot. Bonds3

About 5-amino-1-ethyl-4-propan-2-ylpyrazole-3-carboxylic acid

5-amino-1-ethyl-4-propan-2-ylpyrazole-3-carboxylic acid (PubChem CID 105450679) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-amino-1-ethyl-4-propan-2-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-ethyl-4-propan-2-ylpyrazole-3-carboxylic acid
PubChem CID105450679
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-amino-1-ethyl-4-propan-2-ylpyrazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)c(C(C)C)c1N
InChIInChI=1S/C9H15N3O2/c1-4-12-8(10)6(5(2)3)7(11-12)9(13)14/h5H,4,10H2,1-3H3,(H,13,14)
InChIKeyFOCJQDXNVXGDDR-UHFFFAOYSA-N
XLogP1.31
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-4-propan-2-ylpyrazole-3-carboxylic acid?
The IUPAC name of 5-amino-1-ethyl-4-propan-2-ylpyrazole-3-carboxylic acid (CID 105450679) is 5-amino-1-ethyl-4-propan-2-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-1-ethyl-4-propan-2-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-amino-1-ethyl-4-propan-2-ylpyrazole-3-carboxylic acid is CCn1nc(C(=O)O)c(C(C)C)c1N.
What is the InChIKey of 5-amino-1-ethyl-4-propan-2-ylpyrazole-3-carboxylic acid?
The InChIKey is FOCJQDXNVXGDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-12-8(10)6(5(2)3)7(11-12)9(13)14/h5H,4,10H2,1-3H3,(H,13,14).
What are the key properties of 5-amino-1-ethyl-4-propan-2-ylpyrazole-3-carboxylic acid?
5-amino-1-ethyl-4-propan-2-ylpyrazole-3-carboxylic acid has a molecular weight of 197.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-4-propan-2-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 105450679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).