1-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carbaldehyde

C11H11N3O — CID 175719509

IUPAC1-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carbaldehyde
SMILESC[C@H](c1ccncc1)n1ccc(C=O)n1
InChIInChI=1S/C11H11N3O/c1-9(10-2-5-12-6-3-10)14-7-4-11(8-15)13-14/h2-9H,1H3/t9-/m1/s1
InChIKeyGHVCPDUPXIDYPX-SECBINFHSA-N
MW201.23 g/mol
LogP1.70
Rot. Bonds3

About 1-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carbaldehyde

1-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carbaldehyde (PubChem CID 175719509) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carbaldehyde
PubChem CID175719509
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carbaldehyde
SMILESC[C@H](c1ccncc1)n1ccc(C=O)n1
InChIInChI=1S/C11H11N3O/c1-9(10-2-5-12-6-3-10)14-7-4-11(8-15)13-14/h2-9H,1H3/t9-/m1/s1
InChIKeyGHVCPDUPXIDYPX-SECBINFHSA-N
XLogP1.70
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.70
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-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carbaldehyde?
The IUPAC name of 1-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carbaldehyde (CID 175719509) is 1-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carbaldehyde.
What is the SMILES notation for 1-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carbaldehyde?
The canonical SMILES for 1-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carbaldehyde is C[C@H](c1ccncc1)n1ccc(C=O)n1.
What is the InChIKey of 1-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carbaldehyde?
The InChIKey is GHVCPDUPXIDYPX-SECBINFHSA-N. The full InChI is InChI=1S/C11H11N3O/c1-9(10-2-5-12-6-3-10)14-7-4-11(8-15)13-14/h2-9H,1H3/t9-/m1/s1.
What are the key properties of 1-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carbaldehyde?
1-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carbaldehyde has a molecular weight of 201.23 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carbaldehyde is sourced from PubChem (CID 175719509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).