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

C19H20N4O2 — CID 155526131

IUPAC4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(-c2cncc(-c3cnn(C)c3)c2)ccc1C(N)=O
InChIInChI=1S/C19H20N4O2/c1-12(2)25-18-7-13(4-5-17(18)19(20)24)14-6-15(9-21-8-14)16-10-22-23(3)11-16/h4-12H,1-3H3,(H2,20,24)
InChIKeyGFYFRPOVKHGTOX-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.04
Rot. Bonds5

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

4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide (PubChem CID 155526131) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide
PubChem CID155526131
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1cc(-c2cncc(-c3cnn(C)c3)c2)ccc1C(N)=O
InChIInChI=1S/C19H20N4O2/c1-12(2)25-18-7-13(4-5-17(18)19(20)24)14-6-15(9-21-8-14)16-10-22-23(3)11-16/h4-12H,1-3H3,(H2,20,24)
InChIKeyGFYFRPOVKHGTOX-UHFFFAOYSA-N
XLogP3.04
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide?
The IUPAC name of 4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide (CID 155526131) is 4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for 4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide is CC(C)Oc1cc(-c2cncc(-c3cnn(C)c3)c2)ccc1C(N)=O.
What is the InChIKey of 4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide?
The InChIKey is GFYFRPOVKHGTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12(2)25-18-7-13(4-5-17(18)19(20)24)14-6-15(9-21-8-14)16-10-22-23(3)11-16/h4-12H,1-3H3,(H2,20,24).
What are the key properties of 4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide?
4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide has a molecular weight of 336.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 155526131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).