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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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).