2-chloro-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carbaldehyde

C17H20ClN3O2 — CID 142372608

IUPAC2-chloro-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carbaldehyde
SMILESCC1(C)C(COc2ccn(-c3ccc(C=O)c(Cl)n3)n2)C1(C)C
InChIInChI=1S/C17H20ClN3O2/c1-16(2)12(17(16,3)4)10-23-14-7-8-21(20-14)13-6-5-11(9-22)15(18)19-13/h5-9,12H,10H2,1-4H3
InChIKeyYGQAGKCSBJYGRJ-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.79
Rot. Bonds5

About 2-chloro-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carbaldehyde

2-chloro-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carbaldehyde (PubChem CID 142372608) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-chloro-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carbaldehyde
PubChem CID142372608
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name2-chloro-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carbaldehyde
SMILESCC1(C)C(COc2ccn(-c3ccc(C=O)c(Cl)n3)n2)C1(C)C
InChIInChI=1S/C17H20ClN3O2/c1-16(2)12(17(16,3)4)10-23-14-7-8-21(20-14)13-6-5-11(9-22)15(18)19-13/h5-9,12H,10H2,1-4H3
InChIKeyYGQAGKCSBJYGRJ-UHFFFAOYSA-N
XLogP3.79
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carbaldehyde (CID 142372608) is 2-chloro-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carbaldehyde is CC1(C)C(COc2ccn(-c3ccc(C=O)c(Cl)n3)n2)C1(C)C.
What is the InChIKey of 2-chloro-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carbaldehyde?
The InChIKey is YGQAGKCSBJYGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-16(2)12(17(16,3)4)10-23-14-7-8-21(20-14)13-6-5-11(9-22)15(18)19-13/h5-9,12H,10H2,1-4H3.
What are the key properties of 2-chloro-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carbaldehyde?
2-chloro-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carbaldehyde has a molecular weight of 333.82 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carbaldehyde is sourced from PubChem (CID 142372608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).