4-[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide

C20H22N4O2 — CID 155514353

IUPAC4-[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide
SMILESCc1c(-c2cncc(-c3ccc(C(N)=O)c(OC(C)C)c3)c2)cnn1C
InChIInChI=1S/C20H22N4O2/c1-12(2)26-19-8-14(5-6-17(19)20(21)25)15-7-16(10-22-9-15)18-11-23-24(4)13(18)3/h5-12H,1-4H3,(H2,21,25)
InChIKeyDFAUAZYINZOIAU-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.34
Rot. Bonds5

About 4-[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide

4-[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide (PubChem CID 155514353) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name4-[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide
PubChem CID155514353
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide
SMILESCc1c(-c2cncc(-c3ccc(C(N)=O)c(OC(C)C)c3)c2)cnn1C
InChIInChI=1S/C20H22N4O2/c1-12(2)26-19-8-14(5-6-17(19)20(21)25)15-7-16(10-22-9-15)18-11-23-24(4)13(18)3/h5-12H,1-4H3,(H2,21,25)
InChIKeyDFAUAZYINZOIAU-UHFFFAOYSA-N
XLogP3.34
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-(Benzyloxy)phenyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 9560074
4-(5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-3-yl)-2-(propan-2-yloxy)benzamide
CID 154726271
[5-(3-Methoxy-5-methylphenyl)-4-(2-(4-acetylphenyl)pyridin-4-yl)-pyrazol-1-yl]acetonitrile
CID 45482655
5-(1-Methyl-1H-pyrazol-5-yl)-2-[(phenyl methyl)oxy]-N-3-pyridinylbenzamide
CID 67107000
2-{[(4-Fluorophenyl)methyl]oxy}-5-(1-methyl-1H-pyrazol-4-yl)-N-3-pyridinylbenzamide
CID 67107333
5-(1-methylpyrazol-4-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
CID 69937003
N-[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 70692760
N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-2-(2-methoxyphenyl)-4-quinolinecarbohydrazide
CID 5433358
N'-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylene]-2-(2-methoxyphenyl)-4-quinolinecarbohydrazide
CID 5433359
(E)-3-(2-((4-methylbenzyl)oxy)phenyl)-N'-(pyridin-3-ylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6866659
(E)-1-(2,5-dimethoxyphenyl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-en-1-one
CID 9028330
N-[(1-methylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 24790505

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide?
The IUPAC name of 4-[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide (CID 155514353) is 4-[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 4-[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for 4-[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide is Cc1c(-c2cncc(-c3ccc(C(N)=O)c(OC(C)C)c3)c2)cnn1C.
What is the InChIKey of 4-[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide?
The InChIKey is DFAUAZYINZOIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-12(2)26-19-8-14(5-6-17(19)20(21)25)15-7-16(10-22-9-15)18-11-23-24(4)13(18)3/h5-12H,1-4H3,(H2,21,25).
What are the key properties of 4-[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide?
4-[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide has a molecular weight of 350.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 155514353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).