3-cyclopropyl-1-methylpyrazole-5-carbaldehyde

C8H10N2O — CID 50896484

IUPAC3-cyclopropyl-1-methylpyrazole-5-carbaldehyde
SMILESCn1nc(C2CC2)cc1C=O
InChIInChI=1S/C8H10N2O/c1-10-7(5-11)4-8(9-10)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeyDOCQIUDPZNFVFK-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.11
Rot. Bonds2

About 3-cyclopropyl-1-methylpyrazole-5-carbaldehyde

3-cyclopropyl-1-methylpyrazole-5-carbaldehyde (PubChem CID 50896484) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-cyclopropyl-1-methylpyrazole-5-carbaldehyde.

Molecular Properties

Compound Name3-cyclopropyl-1-methylpyrazole-5-carbaldehyde
PubChem CID50896484
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3-cyclopropyl-1-methylpyrazole-5-carbaldehyde
SMILESCn1nc(C2CC2)cc1C=O
InChIInChI=1S/C8H10N2O/c1-10-7(5-11)4-8(9-10)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeyDOCQIUDPZNFVFK-UHFFFAOYSA-N
XLogP1.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methylpyrazole-5-carbaldehyde?
The IUPAC name of 3-cyclopropyl-1-methylpyrazole-5-carbaldehyde (CID 50896484) is 3-cyclopropyl-1-methylpyrazole-5-carbaldehyde.
What is the SMILES notation for 3-cyclopropyl-1-methylpyrazole-5-carbaldehyde?
The canonical SMILES for 3-cyclopropyl-1-methylpyrazole-5-carbaldehyde is Cn1nc(C2CC2)cc1C=O.
What is the InChIKey of 3-cyclopropyl-1-methylpyrazole-5-carbaldehyde?
The InChIKey is DOCQIUDPZNFVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-10-7(5-11)4-8(9-10)6-2-3-6/h4-6H,2-3H2,1H3.
What are the key properties of 3-cyclopropyl-1-methylpyrazole-5-carbaldehyde?
3-cyclopropyl-1-methylpyrazole-5-carbaldehyde has a molecular weight of 150.18 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methylpyrazole-5-carbaldehyde is sourced from PubChem (CID 50896484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).