2-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]pyrazolidine-1-carbaldehyde

C18H18N6O — CID 89370833

IUPAC2-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]pyrazolidine-1-carbaldehyde
SMILESCc1ccc(-c2cc(N3CCCN3C=O)nn2-c2cccnc2)nc1
InChIInChI=1S/C18H18N6O/c1-14-5-6-16(20-11-14)17-10-18(23-9-3-8-22(23)13-25)21-24(17)15-4-2-7-19-12-15/h2,4-7,10-13H,3,8-9H2,1H3
InChIKeyBSQQKNFFPHPCQX-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.22
Rot. Bonds4

About 2-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]pyrazolidine-1-carbaldehyde

2-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]pyrazolidine-1-carbaldehyde (PubChem CID 89370833) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]pyrazolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]pyrazolidine-1-carbaldehyde
PubChem CID89370833
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name2-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]pyrazolidine-1-carbaldehyde
SMILESCc1ccc(-c2cc(N3CCCN3C=O)nn2-c2cccnc2)nc1
InChIInChI=1S/C18H18N6O/c1-14-5-6-16(20-11-14)17-10-18(23-9-3-8-22(23)13-25)21-24(17)15-4-2-7-19-12-15/h2,4-7,10-13H,3,8-9H2,1H3
InChIKeyBSQQKNFFPHPCQX-UHFFFAOYSA-N
XLogP2.22
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]pyrazolidine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]pyrazolidine-1-carbaldehyde?
The IUPAC name of 2-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]pyrazolidine-1-carbaldehyde (CID 89370833) is 2-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]pyrazolidine-1-carbaldehyde.
What is the SMILES notation for 2-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]pyrazolidine-1-carbaldehyde?
The canonical SMILES for 2-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]pyrazolidine-1-carbaldehyde is Cc1ccc(-c2cc(N3CCCN3C=O)nn2-c2cccnc2)nc1.
What is the InChIKey of 2-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]pyrazolidine-1-carbaldehyde?
The InChIKey is BSQQKNFFPHPCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-14-5-6-16(20-11-14)17-10-18(23-9-3-8-22(23)13-25)21-24(17)15-4-2-7-19-12-15/h2,4-7,10-13H,3,8-9H2,1H3.
What are the key properties of 2-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]pyrazolidine-1-carbaldehyde?
2-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]pyrazolidine-1-carbaldehyde has a molecular weight of 334.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]pyrazolidine-1-carbaldehyde is sourced from PubChem (CID 89370833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).