5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(5-methoxy-1-benzofuran-2-yl)pyrazole-4-carboxamide

C21H20N4O4 — CID 171827657

IUPAC5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(5-methoxy-1-benzofuran-2-yl)pyrazole-4-carboxamide
SMILESCOc1ccc2oc(-c3nn(-c4c(C)ccc(O)c4C)c(N)c3C(N)=O)cc2c1
InChIInChI=1S/C21H20N4O4/c1-10-4-6-14(26)11(2)19(10)25-20(22)17(21(23)27)18(24-25)16-9-12-8-13(28-3)5-7-15(12)29-16/h4-9,26H,22H2,1-3H3,(H2,23,27)
InChIKeyKSTDYTRFTUEXSJ-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.30
Rot. Bonds4

About 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(5-methoxy-1-benzofuran-2-yl)pyrazole-4-carboxamide

5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(5-methoxy-1-benzofuran-2-yl)pyrazole-4-carboxamide (PubChem CID 171827657) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(5-methoxy-1-benzofuran-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(5-methoxy-1-benzofuran-2-yl)pyrazole-4-carboxamide
PubChem CID171827657
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(5-methoxy-1-benzofuran-2-yl)pyrazole-4-carboxamide
SMILESCOc1ccc2oc(-c3nn(-c4c(C)ccc(O)c4C)c(N)c3C(N)=O)cc2c1
InChIInChI=1S/C21H20N4O4/c1-10-4-6-14(26)11(2)19(10)25-20(22)17(21(23)27)18(24-25)16-9-12-8-13(28-3)5-7-15(12)29-16/h4-9,26H,22H2,1-3H3,(H2,23,27)
InChIKeyKSTDYTRFTUEXSJ-UHFFFAOYSA-N
XLogP3.30
TPSA129.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 171827552
5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(4-phenylfuran-2-yl)pyrazole-4-carboxamide
CID 171827629
5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(3-methylfuran-2-yl)pyrazole-4-carboxamide
CID 171827510
5-amino-3-(4-methoxy-2-methylphenyl)-1-methylpyrazole-4-carboxamide
CID 144571789
5-(5-methoxy-1-benzofuran-2-yl)-1,2-oxazol-4-amine
CID 115109669
5-(5-methoxy-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid
CID 5115060
6-methoxy-3-(3-methylpyrazole-1-carbonyl)chromen-2-one
CID 2146209
3-hydroxy-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile
CID 131975057
ethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate
CID 135372866
3-(2,5-dimethylpyrazol-3-yl)-6-methoxychromen-2-one
CID 110167873
2-(5-methoxy-1-benzofuran-2-yl)benzo[h]quinoline-3-carboxylic acid
CID 57381256
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(1-methylpyrazol-4-yl)-6-oxopyrrolo[3,2-c]pyridine-3-carboxamide
CID 172626007

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(5-methoxy-1-benzofuran-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(5-methoxy-1-benzofuran-2-yl)pyrazole-4-carboxamide (CID 171827657) is 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(5-methoxy-1-benzofuran-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(5-methoxy-1-benzofuran-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(5-methoxy-1-benzofuran-2-yl)pyrazole-4-carboxamide is COc1ccc2oc(-c3nn(-c4c(C)ccc(O)c4C)c(N)c3C(N)=O)cc2c1.
What is the InChIKey of 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(5-methoxy-1-benzofuran-2-yl)pyrazole-4-carboxamide?
The InChIKey is KSTDYTRFTUEXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-10-4-6-14(26)11(2)19(10)25-20(22)17(21(23)27)18(24-25)16-9-12-8-13(28-3)5-7-15(12)29-16/h4-9,26H,22H2,1-3H3,(H2,23,27).
What are the key properties of 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(5-methoxy-1-benzofuran-2-yl)pyrazole-4-carboxamide?
5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(5-methoxy-1-benzofuran-2-yl)pyrazole-4-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(5-methoxy-1-benzofuran-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 171827657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).