5-amino-1-cyclobutyl-4-methylpyrazole-3-carboxylic acid

C9H13N3O2 — CID 105448864

IUPAC5-amino-1-cyclobutyl-4-methylpyrazole-3-carboxylic acid
SMILESCc1c(C(=O)O)nn(C2CCC2)c1N
InChIInChI=1S/C9H13N3O2/c1-5-7(9(13)14)11-12(8(5)10)6-3-2-4-6/h6H,2-4,10H2,1H3,(H,13,14)
InChIKeyKVBXFNVSUORYSD-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.20
Rot. Bonds2

About 5-amino-1-cyclobutyl-4-methylpyrazole-3-carboxylic acid

5-amino-1-cyclobutyl-4-methylpyrazole-3-carboxylic acid (PubChem CID 105448864) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-amino-1-cyclobutyl-4-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-cyclobutyl-4-methylpyrazole-3-carboxylic acid
PubChem CID105448864
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name5-amino-1-cyclobutyl-4-methylpyrazole-3-carboxylic acid
SMILESCc1c(C(=O)O)nn(C2CCC2)c1N
InChIInChI=1S/C9H13N3O2/c1-5-7(9(13)14)11-12(8(5)10)6-3-2-4-6/h6H,2-4,10H2,1H3,(H,13,14)
InChIKeyKVBXFNVSUORYSD-UHFFFAOYSA-N
XLogP1.20
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-amino-4-bromo-1-cyclopentylpyrazole-3-carboxylate
CID 112707157
5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxylic acid
CID 175750682
4-bromo-1-cyclobutyl-3-methylpyrazol-5-amine
CID 81251870
5-amino-4-cyano-1-piperidin-4-ylpyrazole-3-carboxylic acid
CID 82589899
5-amino-1-(4,4-difluorocyclohexyl)-3-methylpyrazole-4-carboxylic acid
CID 135371214
2-cyclobutyl-4,5-dimethylpyrazol-3-amine;cyclobutylmethanamine;methane;2-methyl-3-oxobutanenitrile
CID 161241835
3-(3,5-diamino-1-cyclopentylpyrazol-4-yl)propanoic acid
CID 117123276
5-cyclopropyl-1,4-dimethylpyrazole-3-carboxylic acid
CID 105438703
5-chloro-1-cyclohexyl-3-methylpyrazole-4-carboxylic acid
CID 55032261
1-cyclopentyl-5-propan-2-yltriazole-4-carboxylic acid
CID 62054360
5-chloro-1-cycloheptyl-3-methylpyrazole-4-carboxylic acid
CID 61273239
2-cyclopentyl-5-methylpyrazol-3-amine
CID 3152524

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclobutyl-4-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-amino-1-cyclobutyl-4-methylpyrazole-3-carboxylic acid (CID 105448864) is 5-amino-1-cyclobutyl-4-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-1-cyclobutyl-4-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-amino-1-cyclobutyl-4-methylpyrazole-3-carboxylic acid is Cc1c(C(=O)O)nn(C2CCC2)c1N.
What is the InChIKey of 5-amino-1-cyclobutyl-4-methylpyrazole-3-carboxylic acid?
The InChIKey is KVBXFNVSUORYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5-7(9(13)14)11-12(8(5)10)6-3-2-4-6/h6H,2-4,10H2,1H3,(H,13,14).
What are the key properties of 5-amino-1-cyclobutyl-4-methylpyrazole-3-carboxylic acid?
5-amino-1-cyclobutyl-4-methylpyrazole-3-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclobutyl-4-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 105448864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).