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

C8H11N3O2 — CID 82408526

IUPAC4-amino-3-cyclopropyl-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc(C2CC2)c(N)c1C(=O)O
InChIInChI=1S/C8H11N3O2/c1-11-7(8(12)13)5(9)6(10-11)4-2-3-4/h4H,2-3,9H2,1H3,(H,12,13)
InChIKeyQZKMCEDBBJUCSH-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.58
Rot. Bonds2

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

4-amino-3-cyclopropyl-1-methylpyrazole-5-carboxylic acid (PubChem CID 82408526) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-amino-3-cyclopropyl-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-cyclopropyl-1-methylpyrazole-5-carboxylic acid
PubChem CID82408526
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4-amino-3-cyclopropyl-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc(C2CC2)c(N)c1C(=O)O
InChIInChI=1S/C8H11N3O2/c1-11-7(8(12)13)5(9)6(10-11)4-2-3-4/h4H,2-3,9H2,1H3,(H,12,13)
InChIKeyQZKMCEDBBJUCSH-UHFFFAOYSA-N
XLogP0.58
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-cyclopropyl-3-methylimidazole-4-carboxylic acid
CID 67824282
4-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxylic acid
CID 96595001
3-amino-4-iodo-1-methylpyrazole-5-carboxylic acid;hydrochloride
CID 102565500
3-amino-2-cyclopropylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 83821865
(4-amino-3-cyclopropyl-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)methanol
CID 83909025
5-cyclopropyl-1,4-dimethylpyrazole-3-carboxylic acid
CID 105438703
(4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 66125351
3-cyclopropyl-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83910742
3-(5-chloro-3-cyclopropyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid
CID 83899481
ethyl 5-amino-3-cyclopentyl-1-methylpyrazole-4-carboxylate
CID 22309729
5-cyclobutyl-4-ethyl-2-methylpyrazol-3-amine
CID 43670778
3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride
CID 133054193

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-cyclopropyl-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-amino-3-cyclopropyl-1-methylpyrazole-5-carboxylic acid (CID 82408526) is 4-amino-3-cyclopropyl-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-amino-3-cyclopropyl-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-amino-3-cyclopropyl-1-methylpyrazole-5-carboxylic acid is Cn1nc(C2CC2)c(N)c1C(=O)O.
What is the InChIKey of 4-amino-3-cyclopropyl-1-methylpyrazole-5-carboxylic acid?
The InChIKey is QZKMCEDBBJUCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-11-7(8(12)13)5(9)6(10-11)4-2-3-4/h4H,2-3,9H2,1H3,(H,12,13).
What are the key properties of 4-amino-3-cyclopropyl-1-methylpyrazole-5-carboxylic acid?
4-amino-3-cyclopropyl-1-methylpyrazole-5-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-cyclopropyl-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 82408526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).