4-[5-(5-cyclopropyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide

C21H22N4O2 — CID 155528856

IUPAC4-[5-(5-cyclopropyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(-c2cncc(-c3cn[nH]c3C3CC3)c2)ccc1C(N)=O
InChIInChI=1S/C21H22N4O2/c1-12(2)27-19-8-14(5-6-17(19)21(22)26)15-7-16(10-23-9-15)18-11-24-25-20(18)13-3-4-13/h5-13H,3-4H2,1-2H3,(H2,22,26)(H,24,25)
InChIKeyLPLVTTVTTDMYHT-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.90
Rot. Bonds6

About 4-[5-(5-cyclopropyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide

4-[5-(5-cyclopropyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide (PubChem CID 155528856) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-[5-(5-cyclopropyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name4-[5-(5-cyclopropyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide
PubChem CID155528856
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-[5-(5-cyclopropyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(-c2cncc(-c3cn[nH]c3C3CC3)c2)ccc1C(N)=O
InChIInChI=1S/C21H22N4O2/c1-12(2)27-19-8-14(5-6-17(19)21(22)26)15-7-16(10-23-9-15)18-11-24-25-20(18)13-3-4-13/h5-13H,3-4H2,1-2H3,(H2,22,26)(H,24,25)
InChIKeyLPLVTTVTTDMYHT-UHFFFAOYSA-N
XLogP3.90
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(1-Methyl-1H-pyrazol-5-yl)-2-[(phenyl methyl)oxy]-N-3-pyridinylbenzamide
CID 67107000
2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridin-3-ylbenzamide
CID 67108013
5-(1-methylpyrazol-4-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
CID 69937003
3-[2-(Phenylcarbamoyl)-5-(1h-Pyrazol-4-Yl)phenoxy]propan-1-Aminium
CID 78673828
(E)-3-(2-((4-methylbenzyl)oxy)phenyl)-N'-(pyridin-3-ylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6866659
3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(6-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 49792638
2-(3-aminopropoxy)-N-phenyl-4-(1H-pyrazol-4-yl)benzamide
CID 78673829
N-(4-cyclopropyl-5-pyridin-2-yl-1H-pyrazol-3-yl)-2-methoxybenzamide
CID 127039912
4-[5-(1,5-Dimethylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide
CID 155514353
4-[5-[1-(Oxolan-3-yl)pyrazol-4-yl]-3-pyridinyl]-2-propan-2-yloxybenzamide
CID 155516612

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-cyclopropyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide?
The IUPAC name of 4-[5-(5-cyclopropyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide (CID 155528856) is 4-[5-(5-cyclopropyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 4-[5-(5-cyclopropyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for 4-[5-(5-cyclopropyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide is CC(C)Oc1cc(-c2cncc(-c3cn[nH]c3C3CC3)c2)ccc1C(N)=O.
What is the InChIKey of 4-[5-(5-cyclopropyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide?
The InChIKey is LPLVTTVTTDMYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-12(2)27-19-8-14(5-6-17(19)21(22)26)15-7-16(10-23-9-15)18-11-24-25-20(18)13-3-4-13/h5-13H,3-4H2,1-2H3,(H2,22,26)(H,24,25).
What are the key properties of 4-[5-(5-cyclopropyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide?
4-[5-(5-cyclopropyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide has a molecular weight of 362.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-cyclopropyl-1H-pyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 155528856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).