2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde

C19H22N4O2 — CID 174582809

IUPAC2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde
SMILESCC(C)(C)COc1ccc(N2NC=C(c3cccnc3)C2C=O)nc1
InChIInChI=1S/C19H22N4O2/c1-19(2,3)13-25-15-6-7-18(21-10-15)23-17(12-24)16(11-22-23)14-5-4-8-20-9-14/h4-12,17,22H,13H2,1-3H3
InChIKeyUFPWWXCRUABZEB-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.83
Rot. Bonds5

About 2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde

2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde (PubChem CID 174582809) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde.

Molecular Properties

Compound Name2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde
PubChem CID174582809
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde
SMILESCC(C)(C)COc1ccc(N2NC=C(c3cccnc3)C2C=O)nc1
InChIInChI=1S/C19H22N4O2/c1-19(2,3)13-25-15-6-7-18(21-10-15)23-17(12-24)16(11-22-23)14-5-4-8-20-9-14/h4-12,17,22H,13H2,1-3H3
InChIKeyUFPWWXCRUABZEB-UHFFFAOYSA-N
XLogP2.83
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde
CID 174582808
2-[5-(methoxymethyl)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazol-3-ol;hydrochloride
CID 174582857
2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-imidazol-1-yl-1H-pyrazol-3-one
CID 59603695
2-(4-pyridin-3-ylphenoxy)acetaldehyde
CID 90125264
7-(2,2-dimethylpropoxy)-5-methyl-3-pyridin-3-ylchromeno[2,3-c]pyridin-5-ol
CID 67241285
7-chloro-5-pyridin-3-yl-2-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-dihydroisoindole-1-carbaldehyde
CID 174526541
N-(2,2-dimethyl-3-pyridin-3-yloxypropyl)cyclopropanamine
CID 79628763
3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine
CID 134335610
3-[1-(2,2-dimethoxyethyl)imidazol-4-yl]pyridine
CID 44604866
3-(3-pyridin-3-ylpyrazin-2-yl)azetidine-1-carbaldehyde
CID 174701604
7'-(2,2-dimethylpropoxy)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466307
N-methyl-1-[6-(4-pyridin-3-yl-1,3-dihydropyrazol-2-yl)-3-pyridinyl]methanamine
CID 141210003

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde?
The IUPAC name of 2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde (CID 174582809) is 2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde.
What is the SMILES notation for 2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde?
The canonical SMILES for 2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde is CC(C)(C)COc1ccc(N2NC=C(c3cccnc3)C2C=O)nc1.
What is the InChIKey of 2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde?
The InChIKey is UFPWWXCRUABZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-19(2,3)13-25-15-6-7-18(21-10-15)23-17(12-24)16(11-22-23)14-5-4-8-20-9-14/h4-12,17,22H,13H2,1-3H3.
What are the key properties of 2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde?
2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde has a molecular weight of 338.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-pyridin-3-yl-1,3-dihydropyrazole-3-carbaldehyde is sourced from PubChem (CID 174582809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).