1-[7-(4-methoxyanilino)-2-methyl-5-phenylpyrazolo[1,5-c]pyrimidin-3-yl]ethanone

C22H20N4O2 — CID 10090667

IUPAC1-[7-(4-methoxyanilino)-2-methyl-5-phenylpyrazolo[1,5-c]pyrimidin-3-yl]ethanone
SMILESCOc1ccc(Nc2nc(-c3ccccc3)cc3c(C(C)=O)c(C)nn23)cc1
InChIInChI=1S/C22H20N4O2/c1-14-21(15(2)27)20-13-19(16-7-5-4-6-8-16)24-22(26(20)25-14)23-17-9-11-18(28-3)12-10-17/h4-13H,1-3H3,(H,23,24)
InChIKeyDHPYSJGEYZUVQJ-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.66
Rot. Bonds5

About 1-[7-(4-methoxyanilino)-2-methyl-5-phenylpyrazolo[1,5-c]pyrimidin-3-yl]ethanone

1-[7-(4-methoxyanilino)-2-methyl-5-phenylpyrazolo[1,5-c]pyrimidin-3-yl]ethanone (PubChem CID 10090667) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[7-(4-methoxyanilino)-2-methyl-5-phenylpyrazolo[1,5-c]pyrimidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[7-(4-methoxyanilino)-2-methyl-5-phenylpyrazolo[1,5-c]pyrimidin-3-yl]ethanone
PubChem CID10090667
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name1-[7-(4-methoxyanilino)-2-methyl-5-phenylpyrazolo[1,5-c]pyrimidin-3-yl]ethanone
SMILESCOc1ccc(Nc2nc(-c3ccccc3)cc3c(C(C)=O)c(C)nn23)cc1
InChIInChI=1S/C22H20N4O2/c1-14-21(15(2)27)20-13-19(16-7-5-4-6-8-16)24-22(26(20)25-14)23-17-9-11-18(28-3)12-10-17/h4-13H,1-3H3,(H,23,24)
InChIKeyDHPYSJGEYZUVQJ-UHFFFAOYSA-N
XLogP4.66
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936317
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
N-(4-methoxyphenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797139
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 122294613
2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyphenyl)-6-phenylpyrimidine
CID 1070777
4-N-tert-butyl-2-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937801
1-(4-methoxyphenyl)-N,3-diphenylpyrazol-5-amine
CID 102581194
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
[3,5-bis(4-methoxyanilino)pyrazol-1-yl]-phenylmethanone
CID 121238403
N,2-bis(4-methoxyphenyl)quinolin-4-amine
CID 10981160
methyl 5-acetyl-6-methyl-4-phenylpyridine-2-carboxylate
CID 102410586

Frequently Asked Questions

What is the IUPAC name of 1-[7-(4-methoxyanilino)-2-methyl-5-phenylpyrazolo[1,5-c]pyrimidin-3-yl]ethanone?
The IUPAC name of 1-[7-(4-methoxyanilino)-2-methyl-5-phenylpyrazolo[1,5-c]pyrimidin-3-yl]ethanone (CID 10090667) is 1-[7-(4-methoxyanilino)-2-methyl-5-phenylpyrazolo[1,5-c]pyrimidin-3-yl]ethanone.
What is the SMILES notation for 1-[7-(4-methoxyanilino)-2-methyl-5-phenylpyrazolo[1,5-c]pyrimidin-3-yl]ethanone?
The canonical SMILES for 1-[7-(4-methoxyanilino)-2-methyl-5-phenylpyrazolo[1,5-c]pyrimidin-3-yl]ethanone is COc1ccc(Nc2nc(-c3ccccc3)cc3c(C(C)=O)c(C)nn23)cc1.
What is the InChIKey of 1-[7-(4-methoxyanilino)-2-methyl-5-phenylpyrazolo[1,5-c]pyrimidin-3-yl]ethanone?
The InChIKey is DHPYSJGEYZUVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-14-21(15(2)27)20-13-19(16-7-5-4-6-8-16)24-22(26(20)25-14)23-17-9-11-18(28-3)12-10-17/h4-13H,1-3H3,(H,23,24).
What are the key properties of 1-[7-(4-methoxyanilino)-2-methyl-5-phenylpyrazolo[1,5-c]pyrimidin-3-yl]ethanone?
1-[7-(4-methoxyanilino)-2-methyl-5-phenylpyrazolo[1,5-c]pyrimidin-3-yl]ethanone has a molecular weight of 372.43 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(4-methoxyanilino)-2-methyl-5-phenylpyrazolo[1,5-c]pyrimidin-3-yl]ethanone is sourced from PubChem (CID 10090667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).