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'}

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Launch Full Analysis

Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 23143796
N-(1-fluoro-2-methylpropan-2-yl)-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 23143688
N-[4-(carbamoylamino)butyl]-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 71205995
N-[(2-methylpropan-2-yl)oxy]-N-[1-[1-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carbonyl]piperidin-2-yl]cyclopropyl]formamide
CID 87749340
(4,4-difluoropiperidin-1-yl)-[5-(5-methoxy-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]methanone
CID 59684378
ethyl 5-(5-methylpyrazin-2-yl)-1-pyridin-3-ylpyrazole-3-carboxylate
CID 23143622
5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid
CID 23143661
[5-(5-isocyano-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone
CID 59684400
[5-(5-chloro-2-pyridinyl)-1-pyridin-3-ylpyrazol-3-yl]-[3-(dimethylamino)azetidin-1-yl]methanone
CID 59684382
formaldehyde;3-[3-(4-methoxypiperidin-1-yl)-5-(4-methyl-1H-pyrrol-3-yl)pyrazol-1-yl]pyridine
CID 143176095
5-(5-chloro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 69477331
5-methyl-2-[5-(5-methyl-2-pyridinyl)-2,4-bis(4-pyridin-3-ylphenyl)phenyl]pyridine
CID 67990601

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).