5-amino-1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde

C12H15N3O2 — CID 82360768

IUPAC5-amino-1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde
SMILESCCCCn1nc(-c2ccco2)c(C=O)c1N
InChIInChI=1S/C12H15N3O2/c1-2-3-6-15-12(13)9(8-16)11(14-15)10-5-4-7-17-10/h4-5,7-8H,2-3,6,13H2,1H3
InChIKeyBUJQXFQSOJFXHQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.34
Rot. Bonds5

About 5-amino-1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde

5-amino-1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde (PubChem CID 82360768) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-amino-1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-amino-1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde
PubChem CID82360768
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-amino-1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde
SMILESCCCCn1nc(-c2ccco2)c(C=O)c1N
InChIInChI=1S/C12H15N3O2/c1-2-3-6-15-12(13)9(8-16)11(14-15)10-5-4-7-17-10/h4-5,7-8H,2-3,6,13H2,1H3
InChIKeyBUJQXFQSOJFXHQ-UHFFFAOYSA-N
XLogP2.34
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate
CID 82360746
5-amino-1-benzyl-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 82360760
5-amino-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 82360762
1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 61272441
5-amino-3-(2-methoxyphenyl)-1-pentylpyrazole-4-carbaldehyde
CID 82360682
5-amino-3-(4-fluoro-3-methylphenyl)-1-pentylpyrazole-4-carbaldehyde
CID 82360840
5-amino-1-(3-hydroxypropyl)-3-(3-methoxyphenyl)pyrazole-4-carbaldehyde
CID 82360596
5-amino-3-(4-ethoxyphenyl)-1-propylpyrazole-4-carbaldehyde
CID 82360546
5-amino-3-(4-chlorophenyl)-1-(3-hydroxypropyl)pyrazole-4-carbaldehyde
CID 82360396
5-amino-3-(4-ethylphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbaldehyde
CID 82360347
1-butyl-5-(furan-2-yl)triazole-4-carboxylic acid
CID 82202111
1-butyl-4-nitropyrazole-5-carbaldehyde
CID 139674849

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 5-amino-1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde (CID 82360768) is 5-amino-1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-amino-1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 5-amino-1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde is CCCCn1nc(-c2ccco2)c(C=O)c1N.
What is the InChIKey of 5-amino-1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde?
The InChIKey is BUJQXFQSOJFXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-3-6-15-12(13)9(8-16)11(14-15)10-5-4-7-17-10/h4-5,7-8H,2-3,6,13H2,1H3.
What are the key properties of 5-amino-1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde?
5-amino-1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde has a molecular weight of 233.27 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 82360768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).