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

C9H15N3O2 — CID 105450680

IUPAC5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylic acid
SMILESCCc1c(C(=O)O)nn(C(C)C)c1N
InChIInChI=1S/C9H15N3O2/c1-4-6-7(9(13)14)11-12(5(2)3)8(6)10/h5H,4,10H2,1-3H3,(H,13,14)
InChIKeyVAECKBAJGWUFGR-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.31
Rot. Bonds3

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

5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylic acid (PubChem CID 105450680) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylic acid
PubChem CID105450680
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylic acid
SMILESCCc1c(C(=O)O)nn(C(C)C)c1N
InChIInChI=1S/C9H15N3O2/c1-4-6-7(9(13)14)11-12(5(2)3)8(6)10/h5H,4,10H2,1-3H3,(H,13,14)
InChIKeyVAECKBAJGWUFGR-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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Related Compounds

methyl 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylate
CID 105465044
5-amino-1,4-diethylpyrazole-3-carboxylic acid
CID 21432458
ethyl 5-amino-1-propan-2-yl-4-propylpyrazole-3-carboxylate
CID 165476892
5-amino-4-ethyl-1-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 105480219
4-chloro-5-ethyl-1-propan-2-ylpyrazole-3-carboxylic acid
CID 83705085
6-amino-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 84676883
5-amino-1-ethyl-4-propan-2-ylpyrazole-3-carboxylic acid
CID 105450679
2-(3,5-diamino-1-propan-2-ylpyrazol-4-yl)ethanol
CID 117123289
methyl 5-ethyl-1-propan-2-yltriazole-4-carboxylate
CID 103105848
5-bromo-4-tert-butyl-1-propan-2-ylpyrazole-3-carboxylic acid
CID 117246764
5-methoxycarbonyl-1-propan-2-ylpyrazole-3-carboxylic acid
CID 117218592
1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylic acid
CID 90162209

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylic acid?
The IUPAC name of 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylic acid (CID 105450680) is 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylic acid is CCc1c(C(=O)O)nn(C(C)C)c1N.
What is the InChIKey of 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylic acid?
The InChIKey is VAECKBAJGWUFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-6-7(9(13)14)11-12(5(2)3)8(6)10/h5H,4,10H2,1-3H3,(H,13,14).
What are the key properties of 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylic acid?
5-amino-4-ethyl-1-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-4-ethyl-1-propan-2-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 105450680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).