4-cyclopropyloxy-2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzonitrile

C21H20N4O3 — CID 135355220

IUPAC4-cyclopropyloxy-2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzonitrile
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(-c2cc(OC3CC3)ccc2C#N)c1
InChIInChI=1S/C21H20N4O3/c1-3-27-20-9-21(26)24(2)13-18(20)15-11-23-25(12-15)19-8-17(28-16-6-7-16)5-4-14(19)10-22/h4-5,8-9,11-13,16H,3,6-7H2,1-2H3
InChIKeyPIMIMIZDTGPIHP-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.05
Rot. Bonds6

About 4-cyclopropyloxy-2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzonitrile

4-cyclopropyloxy-2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzonitrile (PubChem CID 135355220) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 4-cyclopropyloxy-2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzonitrile.

Molecular Properties

Compound Name4-cyclopropyloxy-2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzonitrile
PubChem CID135355220
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name4-cyclopropyloxy-2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzonitrile
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(-c2cc(OC3CC3)ccc2C#N)c1
InChIInChI=1S/C21H20N4O3/c1-3-27-20-9-21(26)24(2)13-18(20)15-11-23-25(12-15)19-8-17(28-16-6-7-16)5-4-14(19)10-22/h4-5,8-9,11-13,16H,3,6-7H2,1-2H3
InChIKeyPIMIMIZDTGPIHP-UHFFFAOYSA-N
XLogP3.05
TPSA82.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyloxy-2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzonitrile?
The IUPAC name of 4-cyclopropyloxy-2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzonitrile (CID 135355220) is 4-cyclopropyloxy-2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzonitrile.
What is the SMILES notation for 4-cyclopropyloxy-2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzonitrile?
The canonical SMILES for 4-cyclopropyloxy-2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzonitrile is CCOc1cc(=O)n(C)cc1-c1cnn(-c2cc(OC3CC3)ccc2C#N)c1.
What is the InChIKey of 4-cyclopropyloxy-2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzonitrile?
The InChIKey is PIMIMIZDTGPIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-3-27-20-9-21(26)24(2)13-18(20)15-11-23-25(12-15)19-8-17(28-16-6-7-16)5-4-14(19)10-22/h4-5,8-9,11-13,16H,3,6-7H2,1-2H3.
What are the key properties of 4-cyclopropyloxy-2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzonitrile?
4-cyclopropyloxy-2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzonitrile has a molecular weight of 376.42 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyloxy-2-[4-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)pyrazol-1-yl]benzonitrile is sourced from PubChem (CID 135355220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).