1-methyl-5-(2-pyrrolidin-1-ylethyl)pyrazole-3-carbaldehyde

C11H17N3O — CID 83820285

IUPAC1-methyl-5-(2-pyrrolidin-1-ylethyl)pyrazole-3-carbaldehyde
SMILESCn1nc(C=O)cc1CCN1CCCC1
InChIInChI=1S/C11H17N3O/c1-13-11(8-10(9-15)12-13)4-7-14-5-2-3-6-14/h8-9H,2-7H2,1H3
InChIKeyHYGDNYFUCNVGMK-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.87
Rot. Bonds4

About 1-methyl-5-(2-pyrrolidin-1-ylethyl)pyrazole-3-carbaldehyde

1-methyl-5-(2-pyrrolidin-1-ylethyl)pyrazole-3-carbaldehyde (PubChem CID 83820285) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-methyl-5-(2-pyrrolidin-1-ylethyl)pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1-methyl-5-(2-pyrrolidin-1-ylethyl)pyrazole-3-carbaldehyde
PubChem CID83820285
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-methyl-5-(2-pyrrolidin-1-ylethyl)pyrazole-3-carbaldehyde
SMILESCn1nc(C=O)cc1CCN1CCCC1
InChIInChI=1S/C11H17N3O/c1-13-11(8-10(9-15)12-13)4-7-14-5-2-3-6-14/h8-9H,2-7H2,1H3
InChIKeyHYGDNYFUCNVGMK-UHFFFAOYSA-N
XLogP0.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.87
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 1-methyl-5-(2-pyrrolidin-1-ylethyl)pyrazole-3-carbaldehyde?
The IUPAC name of 1-methyl-5-(2-pyrrolidin-1-ylethyl)pyrazole-3-carbaldehyde (CID 83820285) is 1-methyl-5-(2-pyrrolidin-1-ylethyl)pyrazole-3-carbaldehyde.
What is the SMILES notation for 1-methyl-5-(2-pyrrolidin-1-ylethyl)pyrazole-3-carbaldehyde?
The canonical SMILES for 1-methyl-5-(2-pyrrolidin-1-ylethyl)pyrazole-3-carbaldehyde is Cn1nc(C=O)cc1CCN1CCCC1.
What is the InChIKey of 1-methyl-5-(2-pyrrolidin-1-ylethyl)pyrazole-3-carbaldehyde?
The InChIKey is HYGDNYFUCNVGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-11(8-10(9-15)12-13)4-7-14-5-2-3-6-14/h8-9H,2-7H2,1H3.
What are the key properties of 1-methyl-5-(2-pyrrolidin-1-ylethyl)pyrazole-3-carbaldehyde?
1-methyl-5-(2-pyrrolidin-1-ylethyl)pyrazole-3-carbaldehyde has a molecular weight of 207.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-pyrrolidin-1-ylethyl)pyrazole-3-carbaldehyde is sourced from PubChem (CID 83820285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).