1-cyclopropyl-5-methylpyrazole-3-carbaldehyde

C8H10N2O — CID 115011794

IUPAC1-cyclopropyl-5-methylpyrazole-3-carbaldehyde
SMILESCc1cc(C=O)nn1C1CC1
InChIInChI=1S/C8H10N2O/c1-6-4-7(5-11)9-10(6)8-2-3-8/h4-5,8H,2-3H2,1H3
InChIKeyMNFUGOJOTYEILL-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.34
Rot. Bonds2

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

1-cyclopropyl-5-methylpyrazole-3-carbaldehyde (PubChem CID 115011794) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-cyclopropyl-5-methylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1-cyclopropyl-5-methylpyrazole-3-carbaldehyde
PubChem CID115011794
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name1-cyclopropyl-5-methylpyrazole-3-carbaldehyde
SMILESCc1cc(C=O)nn1C1CC1
InChIInChI=1S/C8H10N2O/c1-6-4-7(5-11)9-10(6)8-2-3-8/h4-5,8H,2-3H2,1H3
InChIKeyMNFUGOJOTYEILL-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
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 1-cyclopropyl-5-methylpyrazole-3-carbaldehyde?
The IUPAC name of 1-cyclopropyl-5-methylpyrazole-3-carbaldehyde (CID 115011794) is 1-cyclopropyl-5-methylpyrazole-3-carbaldehyde.
What is the SMILES notation for 1-cyclopropyl-5-methylpyrazole-3-carbaldehyde?
The canonical SMILES for 1-cyclopropyl-5-methylpyrazole-3-carbaldehyde is Cc1cc(C=O)nn1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-methylpyrazole-3-carbaldehyde?
The InChIKey is MNFUGOJOTYEILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-6-4-7(5-11)9-10(6)8-2-3-8/h4-5,8H,2-3H2,1H3.
What are the key properties of 1-cyclopropyl-5-methylpyrazole-3-carbaldehyde?
1-cyclopropyl-5-methylpyrazole-3-carbaldehyde has a molecular weight of 150.18 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methylpyrazole-3-carbaldehyde is sourced from PubChem (CID 115011794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).