4-[2-(4-methoxyphenyl)-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]benzonitrile

C22H18N4O — CID 10043703

IUPAC4-[2-(4-methoxyphenyl)-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]benzonitrile
SMILESCOc1ccc(N2N=C(c3ccc(C#N)cc3)CC2c2cccnc2)cc1
InChIInChI=1S/C22H18N4O/c1-27-20-10-8-19(9-11-20)26-22(18-3-2-12-24-15-18)13-21(25-26)17-6-4-16(14-23)5-7-17/h2-12,15,22H,13H2,1H3
InChIKeyMADZRGLCLRHXEW-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.32
Rot. Bonds4

About 4-[2-(4-methoxyphenyl)-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]benzonitrile

4-[2-(4-methoxyphenyl)-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]benzonitrile (PubChem CID 10043703) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]benzonitrile
PubChem CID10043703
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name4-[2-(4-methoxyphenyl)-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]benzonitrile
SMILESCOc1ccc(N2N=C(c3ccc(C#N)cc3)CC2c2cccnc2)cc1
InChIInChI=1S/C22H18N4O/c1-27-20-10-8-19(9-11-20)26-22(18-3-2-12-24-15-18)13-21(25-26)17-6-4-16(14-23)5-7-17/h2-12,15,22H,13H2,1H3
InChIKeyMADZRGLCLRHXEW-UHFFFAOYSA-N
XLogP4.32
TPSA61.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]benzonitrile?
The IUPAC name of 4-[2-(4-methoxyphenyl)-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]benzonitrile (CID 10043703) is 4-[2-(4-methoxyphenyl)-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]benzonitrile?
The canonical SMILES for 4-[2-(4-methoxyphenyl)-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]benzonitrile is COc1ccc(N2N=C(c3ccc(C#N)cc3)CC2c2cccnc2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]benzonitrile?
The InChIKey is MADZRGLCLRHXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-27-20-10-8-19(9-11-20)26-22(18-3-2-12-24-15-18)13-21(25-26)17-6-4-16(14-23)5-7-17/h2-12,15,22H,13H2,1H3.
What are the key properties of 4-[2-(4-methoxyphenyl)-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]benzonitrile?
4-[2-(4-methoxyphenyl)-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]benzonitrile has a molecular weight of 354.41 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]benzonitrile is sourced from PubChem (CID 10043703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).