N-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

C22H22N4O — CID 20895294

IUPACN-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccccc1-c1cc2nc(C)cc(Nc3cc(C)cc(C)c3)n2n1
InChIInChI=1S/C22H22N4O/c1-14-9-15(2)11-17(10-14)24-21-12-16(3)23-22-13-19(25-26(21)22)18-7-5-6-8-20(18)27-4/h5-13,24H,1-4H3
InChIKeyAFHYJZXNTXFZSA-UHFFFAOYSA-N
MW358.45 g/mol
LogP5.07
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

N-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 20895294) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID20895294
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccccc1-c1cc2nc(C)cc(Nc3cc(C)cc(C)c3)n2n1
InChIInChI=1S/C22H22N4O/c1-14-9-15(2)11-17(10-14)24-21-12-16(3)23-22-13-19(25-26(21)22)18-7-5-6-8-20(18)27-4/h5-13,24H,1-4H3
InChIKeyAFHYJZXNTXFZSA-UHFFFAOYSA-N
XLogP5.07
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-N-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 20895301
2-(2-methoxyphenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 20895288
2-(2-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 146052228
[2-(2-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
CID 82270371
N'-[2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 82270620
6-(2-methoxyphenyl)-N-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine
CID 134809082
(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270287
4-N-[6-(2-methoxyphenyl)-2-methylpyrimidin-4-yl]benzene-1,4-diamine
CID 68917912
N-[2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 71779752
N-benzyl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4183438
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1441069
3,5-bis(2-methoxyphenyl)-1-methylpyrazole
CID 19586953

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 20895294) is N-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is COc1ccccc1-c1cc2nc(C)cc(Nc3cc(C)cc(C)c3)n2n1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AFHYJZXNTXFZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-14-9-15(2)11-17(10-14)24-21-12-16(3)23-22-13-19(25-26(21)22)18-7-5-6-8-20(18)27-4/h5-13,24H,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 358.45 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 20895294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).