4-amino-1-(2-butoxyethyl)pyrazole-3-carboxylic acid

C10H17N3O3 — CID 107344234

IUPAC4-amino-1-(2-butoxyethyl)pyrazole-3-carboxylic acid
SMILESCCCCOCCn1cc(N)c(C(=O)O)n1
InChIInChI=1S/C10H17N3O3/c1-2-3-5-16-6-4-13-7-8(11)9(12-13)10(14)15/h7H,2-6,11H2,1H3,(H,14,15)
InChIKeyVFBNTRPCKAZYCK-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.98
Rot. Bonds7

About 4-amino-1-(2-butoxyethyl)pyrazole-3-carboxylic acid

4-amino-1-(2-butoxyethyl)pyrazole-3-carboxylic acid (PubChem CID 107344234) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-amino-1-(2-butoxyethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-(2-butoxyethyl)pyrazole-3-carboxylic acid
PubChem CID107344234
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-amino-1-(2-butoxyethyl)pyrazole-3-carboxylic acid
SMILESCCCCOCCn1cc(N)c(C(=O)O)n1
InChIInChI=1S/C10H17N3O3/c1-2-3-5-16-6-4-13-7-8(11)9(12-13)10(14)15/h7H,2-6,11H2,1H3,(H,14,15)
InChIKeyVFBNTRPCKAZYCK-UHFFFAOYSA-N
XLogP0.98
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-[2-(2-hydroxyethoxy)ethyl]pyrazole-3-carboxamide
CID 107345439
ethyl 4-amino-1-pentylpyrazole-3-carboxylate
CID 107344874
4-amino-1-(2-fluoroethyl)pyrazole-3-carboxylic acid
CID 97182097
4-amino-1-heptylpyrazole-3-carboxamide
CID 107345098
methyl 4-amino-1-hexylpyrazole-3-carboxylate
CID 107344558
4-amino-1-(4-cyanobutyl)pyrazole-3-carboxylic acid
CID 107344322
2-propoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate
CID 65362690
3-(2-methoxyethoxy)propyl 4-amino-1-ethylpyrazole-3-carboxylate
CID 103404099
1-(2-butoxyethyl)-3-iodo-4-methylpyrazole
CID 79788109
4-amino-1-[2-(3-bromophenoxy)ethyl]pyrazole-3-carboxylic acid
CID 107344238
ethyl 4-amino-1-(3-hydroxypropyl)pyrazole-3-carboxylate
CID 107344882
4-amino-1-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrazole-3-carboxylic acid
CID 165480398

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-butoxyethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 4-amino-1-(2-butoxyethyl)pyrazole-3-carboxylic acid (CID 107344234) is 4-amino-1-(2-butoxyethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-(2-butoxyethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 4-amino-1-(2-butoxyethyl)pyrazole-3-carboxylic acid is CCCCOCCn1cc(N)c(C(=O)O)n1.
What is the InChIKey of 4-amino-1-(2-butoxyethyl)pyrazole-3-carboxylic acid?
The InChIKey is VFBNTRPCKAZYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-2-3-5-16-6-4-13-7-8(11)9(12-13)10(14)15/h7H,2-6,11H2,1H3,(H,14,15).
What are the key properties of 4-amino-1-(2-butoxyethyl)pyrazole-3-carboxylic acid?
4-amino-1-(2-butoxyethyl)pyrazole-3-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-butoxyethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 107344234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).