4-[[5-[4-(2,4-dimethoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]benzonitrile

C24H20N4O2 — CID 59989190

IUPAC4-[[5-[4-(2,4-dimethoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]benzonitrile
SMILESCOc1ccc(-c2ccc(-c3cc(Nc4ccc(C#N)cc4)n[nH]3)cc2)c(OC)c1
InChIInChI=1S/C24H20N4O2/c1-29-20-11-12-21(23(13-20)30-2)17-5-7-18(8-6-17)22-14-24(28-27-22)26-19-9-3-16(15-25)4-10-19/h3-14H,1-2H3,(H2,26,27,28)
InChIKeyDWJSWJXNHNYOMG-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.38
Rot. Bonds6

About 4-[[5-[4-(2,4-dimethoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]benzonitrile

4-[[5-[4-(2,4-dimethoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]benzonitrile (PubChem CID 59989190) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-[[5-[4-(2,4-dimethoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[5-[4-(2,4-dimethoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]benzonitrile
PubChem CID59989190
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name4-[[5-[4-(2,4-dimethoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]benzonitrile
SMILESCOc1ccc(-c2ccc(-c3cc(Nc4ccc(C#N)cc4)n[nH]3)cc2)c(OC)c1
InChIInChI=1S/C24H20N4O2/c1-29-20-11-12-21(23(13-20)30-2)17-5-7-18(8-6-17)22-14-24(28-27-22)26-19-9-3-16(15-25)4-10-19/h3-14H,1-2H3,(H2,26,27,28)
InChIKeyDWJSWJXNHNYOMG-UHFFFAOYSA-N
XLogP5.38
TPSA82.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4'-[5-[[3-[(Cyclopropylamino)methyl]phenyl]amino]-1h-Pyrazol-3-Yl]-[1,1'-Biphenyl]-2,4-Diol
CID 135451019
4-[4-[3-[4-[(propan-2-ylamino)methyl]anilino]-1H-pyrazol-5-yl]phenyl]benzene-1,3-diol
CID 135431661
4-[4-[3-[4-(pyrrolidin-1-ylmethyl)anilino]-1H-pyrazol-5-yl]phenyl]benzene-1,3-diol
CID 136034784
4-[4-[3-[4-[(dimethylamino)methyl]anilino]-1H-pyrazol-5-yl]phenyl]benzene-1,3-diol
CID 136104498
4''-(5-phenylamino-2H-pyrazol-3-yl)-biphenyl-2,4-diol
CID 135461992
5-[2-(3,5-dimethoxyphenyl)ethyl]-N-[(4-morpholin-4-ylphenyl)methyl]-1H-pyrazol-3-amine
CID 168274215
Cambridge id 5670117
CID 5724897
2-fluoro-4-[[5-(2-methoxy-4-piperidin-4-ylphenyl)-1H-pyrazol-3-yl]amino]benzonitrile
CID 118294773
2-fluoro-4-[[5-[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]benzonitrile
CID 118294833
4-[4-[3-[4-[(cyclopropylamino)methyl]anilino]-1H-pyrazol-5-yl]phenyl]-5-fluorobenzene-1,3-diol
CID 135540524
5-[4-(2-fluoro-5-methoxyphenyl)phenyl]-N-(2-methylphenyl)-1H-pyrazol-3-amine
CID 173920482
3-(4-methoxyanilino)-5-phenyl-1H-pyrazole-4-carbonitrile
CID 12455586

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[4-(2,4-dimethoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]benzonitrile?
The IUPAC name of 4-[[5-[4-(2,4-dimethoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]benzonitrile (CID 59989190) is 4-[[5-[4-(2,4-dimethoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[5-[4-(2,4-dimethoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]benzonitrile?
The canonical SMILES for 4-[[5-[4-(2,4-dimethoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]benzonitrile is COc1ccc(-c2ccc(-c3cc(Nc4ccc(C#N)cc4)n[nH]3)cc2)c(OC)c1.
What is the InChIKey of 4-[[5-[4-(2,4-dimethoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]benzonitrile?
The InChIKey is DWJSWJXNHNYOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-29-20-11-12-21(23(13-20)30-2)17-5-7-18(8-6-17)22-14-24(28-27-22)26-19-9-3-16(15-25)4-10-19/h3-14H,1-2H3,(H2,26,27,28).
What are the key properties of 4-[[5-[4-(2,4-dimethoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]benzonitrile?
4-[[5-[4-(2,4-dimethoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]benzonitrile has a molecular weight of 396.45 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-(2,4-dimethoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]benzonitrile is sourced from PubChem (CID 59989190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).