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

C15H13N3O2 — CID 82360760

IUPAC5-amino-1-benzyl-3-(furan-2-yl)pyrazole-4-carbaldehyde
SMILESNc1c(C=O)c(-c2ccco2)nn1Cc1ccccc1
InChIInChI=1S/C15H13N3O2/c16-15-12(10-19)14(13-7-4-8-20-13)17-18(15)9-11-5-2-1-3-6-11/h1-8,10H,9,16H2
InChIKeyISZYDPQDTQQGFT-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.59
Rot. Bonds4

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

5-amino-1-benzyl-3-(furan-2-yl)pyrazole-4-carbaldehyde (PubChem CID 82360760) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-amino-1-benzyl-3-(furan-2-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-amino-1-benzyl-3-(furan-2-yl)pyrazole-4-carbaldehyde
PubChem CID82360760
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-amino-1-benzyl-3-(furan-2-yl)pyrazole-4-carbaldehyde
SMILESNc1c(C=O)c(-c2ccco2)nn1Cc1ccccc1
InChIInChI=1S/C15H13N3O2/c16-15-12(10-19)14(13-7-4-8-20-13)17-18(15)9-11-5-2-1-3-6-11/h1-8,10H,9,16H2
InChIKeyISZYDPQDTQQGFT-UHFFFAOYSA-N
XLogP2.59
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.59
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

5-amino-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 82360762
5-amino-1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 82360768
propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate
CID 82360746
1-benzyl-3-(furan-2-yl)pyrazol-5-amine
CID 15858676
2-[3-benzyl-5-(furan-2-yl)triazol-4-yl]acetic acid
CID 174977878
2-benzyl-4-cyclopropyl-5-(furan-2-yl)-1,2,4-triazol-3-one
CID 121117153
(4Z)-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 8851506
4-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-1-benzylpyridin-2-one
CID 23144116
3-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazole-4-carbaldehyde
CID 63275337
2-(3-chloropropyl)-4-(furan-2-yl)phthalazin-1-one
CID 142713116
1-benzyl-3-(4-chlorophenyl)-4-nitrosopyrazol-5-amine
CID 42873101
2-[5-amino-4-formyl-3-(3-methoxyphenyl)pyrazol-1-yl]acetic acid
CID 82360578

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-benzyl-3-(furan-2-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 5-amino-1-benzyl-3-(furan-2-yl)pyrazole-4-carbaldehyde (CID 82360760) is 5-amino-1-benzyl-3-(furan-2-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-amino-1-benzyl-3-(furan-2-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 5-amino-1-benzyl-3-(furan-2-yl)pyrazole-4-carbaldehyde is Nc1c(C=O)c(-c2ccco2)nn1Cc1ccccc1.
What is the InChIKey of 5-amino-1-benzyl-3-(furan-2-yl)pyrazole-4-carbaldehyde?
The InChIKey is ISZYDPQDTQQGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-15-12(10-19)14(13-7-4-8-20-13)17-18(15)9-11-5-2-1-3-6-11/h1-8,10H,9,16H2.
What are the key properties of 5-amino-1-benzyl-3-(furan-2-yl)pyrazole-4-carbaldehyde?
5-amino-1-benzyl-3-(furan-2-yl)pyrazole-4-carbaldehyde has a molecular weight of 267.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-benzyl-3-(furan-2-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 82360760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).