3,5-dimethyl-4-[5-(4-methylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxybenzonitrile

C22H19N5O — CID 74539033

IUPAC3,5-dimethyl-4-[5-(4-methylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxybenzonitrile
SMILESCc1ccc(Nc2cc(Oc3c(C)cc(C#N)cc3C)n3nccc3n2)cc1
InChIInChI=1S/C22H19N5O/c1-14-4-6-18(7-5-14)25-19-12-21(27-20(26-19)8-9-24-27)28-22-15(2)10-17(13-23)11-16(22)3/h4-12H,1-3H3,(H,25,26)
InChIKeyULRBWXYDRJNLNG-UHFFFAOYSA-N
MW369.43 g/mol
LogP5.06
Rot. Bonds4

About 3,5-dimethyl-4-[5-(4-methylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxybenzonitrile

3,5-dimethyl-4-[5-(4-methylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxybenzonitrile (PubChem CID 74539033) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 3,5-dimethyl-4-[5-(4-methylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxybenzonitrile.

Molecular Properties

Compound Name3,5-dimethyl-4-[5-(4-methylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxybenzonitrile
PubChem CID74539033
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name3,5-dimethyl-4-[5-(4-methylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxybenzonitrile
SMILESCc1ccc(Nc2cc(Oc3c(C)cc(C#N)cc3C)n3nccc3n2)cc1
InChIInChI=1S/C22H19N5O/c1-14-4-6-18(7-5-14)25-19-12-21(27-20(26-19)8-9-24-27)28-22-15(2)10-17(13-23)11-16(22)3/h4-12H,1-3H3,(H,25,26)
InChIKeyULRBWXYDRJNLNG-UHFFFAOYSA-N
XLogP5.06
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-((2-((4-Cyanophenyl)amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile
CID 57693582
4-({2-[(4-Cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile
CID 488789
4-[[4-[4-[(E)-2-cyanovinyl]-2,6-dimethyl-phenoxy]pyrimidin-2-yl]amino]benzonitrile
CID 6478571
4-[[4-[4-[(E)-2-cyanovinyl]-2-methyl-phenoxy]pyrimidin-2-yl]amino]benzonitrile
CID 6478572
7-Amino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70686471
5-(4-Methoxyphenyl)-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70694813
(2E)-1-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-2-{[4-(prop-2-en-1-yloxy)phenyl]methylidene}hydrazine
CID 91223202
1-benzyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 656061
N-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 661236
4-[[4-(2,4,6-Trimethylphenoxy)-2-pyrimidinyl]amino]benzonitrile
CID 488767
2-(4-Methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 754802
N-[(E)-(4-aminophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 9604946

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[5-(4-methylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxybenzonitrile?
The IUPAC name of 3,5-dimethyl-4-[5-(4-methylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxybenzonitrile (CID 74539033) is 3,5-dimethyl-4-[5-(4-methylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxybenzonitrile.
What is the SMILES notation for 3,5-dimethyl-4-[5-(4-methylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxybenzonitrile?
The canonical SMILES for 3,5-dimethyl-4-[5-(4-methylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxybenzonitrile is Cc1ccc(Nc2cc(Oc3c(C)cc(C#N)cc3C)n3nccc3n2)cc1.
What is the InChIKey of 3,5-dimethyl-4-[5-(4-methylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxybenzonitrile?
The InChIKey is ULRBWXYDRJNLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-14-4-6-18(7-5-14)25-19-12-21(27-20(26-19)8-9-24-27)28-22-15(2)10-17(13-23)11-16(22)3/h4-12H,1-3H3,(H,25,26).
What are the key properties of 3,5-dimethyl-4-[5-(4-methylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxybenzonitrile?
3,5-dimethyl-4-[5-(4-methylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxybenzonitrile has a molecular weight of 369.43 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[5-(4-methylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]oxybenzonitrile is sourced from PubChem (CID 74539033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).