5-[(4-methylpyrazol-1-yl)methyl]furan-2-carbaldehyde

C10H10N2O2 — CID 19619692

IUPAC5-[(4-methylpyrazol-1-yl)methyl]furan-2-carbaldehyde
SMILESCc1cnn(Cc2ccc(C=O)o2)c1
InChIInChI=1S/C10H10N2O2/c1-8-4-11-12(5-8)6-9-2-3-10(7-13)14-9/h2-5,7H,6H2,1H3
InChIKeyNJJTUFVJXGCNCQ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.65
Rot. Bonds3

About 5-[(4-methylpyrazol-1-yl)methyl]furan-2-carbaldehyde

5-[(4-methylpyrazol-1-yl)methyl]furan-2-carbaldehyde (PubChem CID 19619692) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 5-[(4-methylpyrazol-1-yl)methyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[(4-methylpyrazol-1-yl)methyl]furan-2-carbaldehyde
PubChem CID19619692
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name5-[(4-methylpyrazol-1-yl)methyl]furan-2-carbaldehyde
SMILESCc1cnn(Cc2ccc(C=O)o2)c1
InChIInChI=1S/C10H10N2O2/c1-8-4-11-12(5-8)6-9-2-3-10(7-13)14-9/h2-5,7H,6H2,1H3
InChIKeyNJJTUFVJXGCNCQ-UHFFFAOYSA-N
XLogP1.65
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpyrazol-1-yl)methyl]furan-2-carbaldehyde?
The IUPAC name of 5-[(4-methylpyrazol-1-yl)methyl]furan-2-carbaldehyde (CID 19619692) is 5-[(4-methylpyrazol-1-yl)methyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[(4-methylpyrazol-1-yl)methyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[(4-methylpyrazol-1-yl)methyl]furan-2-carbaldehyde is Cc1cnn(Cc2ccc(C=O)o2)c1.
What is the InChIKey of 5-[(4-methylpyrazol-1-yl)methyl]furan-2-carbaldehyde?
The InChIKey is NJJTUFVJXGCNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-8-4-11-12(5-8)6-9-2-3-10(7-13)14-9/h2-5,7H,6H2,1H3.
What are the key properties of 5-[(4-methylpyrazol-1-yl)methyl]furan-2-carbaldehyde?
5-[(4-methylpyrazol-1-yl)methyl]furan-2-carbaldehyde has a molecular weight of 190.20 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpyrazol-1-yl)methyl]furan-2-carbaldehyde is sourced from PubChem (CID 19619692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).