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

C17H18N4O3 — CID 171827510

IUPAC5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(3-methylfuran-2-yl)pyrazole-4-carboxamide
SMILESCc1ccoc1-c1nn(-c2c(C)ccc(O)c2C)c(N)c1C(N)=O
InChIInChI=1S/C17H18N4O3/c1-8-4-5-11(22)10(3)14(8)21-16(18)12(17(19)23)13(20-21)15-9(2)6-7-24-15/h4-7,22H,18H2,1-3H3,(H2,19,23)
InChIKeyITPRQPQRMBYNTO-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.44
Rot. Bonds3

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

5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(3-methylfuran-2-yl)pyrazole-4-carboxamide (PubChem CID 171827510) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(3-methylfuran-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(3-methylfuran-2-yl)pyrazole-4-carboxamide
PubChem CID171827510
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(3-methylfuran-2-yl)pyrazole-4-carboxamide
SMILESCc1ccoc1-c1nn(-c2c(C)ccc(O)c2C)c(N)c1C(N)=O
InChIInChI=1S/C17H18N4O3/c1-8-4-5-11(22)10(3)14(8)21-16(18)12(17(19)23)13(20-21)15-9(2)6-7-24-15/h4-7,22H,18H2,1-3H3,(H2,19,23)
InChIKeyITPRQPQRMBYNTO-UHFFFAOYSA-N
XLogP2.44
TPSA120.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 171827552
5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(5-methoxy-1-benzofuran-2-yl)pyrazole-4-carboxamide
CID 171827657
3-[5-amino-3-(furan-2-yl)-4-methylpyrazol-1-yl]-2,4-dimethylphenol
CID 171827622
5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-[3-(3-morpholin-4-ylpropoxy)-2-pyridinyl]pyrazole-4-carboxamide
CID 171827674
4-methyl-3-(3-methylfuran-2-yl)-1-phenylpyrazol-5-amine
CID 43159004
6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869425
11-amino-10-(3-hydroxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide
CID 169238429
5-amino-1-(3-amino-2-methanimidoyl-6-methylphenyl)-3-(5-bromofuran-2-yl)pyrazole-4-carboxamide
CID 171827690
potassium;2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-methanidyl-6-(methylamino)pyrrolo[3,2-c]pyridine-3-carboxamide;carbanide
CID 178110771
5-amino-3-(5-bromofuran-2-yl)-1-(5-methyl-1H-indazol-4-yl)pyrazole-4-carboxamide
CID 171827693
5-amino-3-(5-fluoro-3-pyridinyl)-6-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-c]pyrazole-4-carboxamide
CID 177163686

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(3-methylfuran-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(3-methylfuran-2-yl)pyrazole-4-carboxamide (CID 171827510) is 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(3-methylfuran-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(3-methylfuran-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(3-methylfuran-2-yl)pyrazole-4-carboxamide is Cc1ccoc1-c1nn(-c2c(C)ccc(O)c2C)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(3-methylfuran-2-yl)pyrazole-4-carboxamide?
The InChIKey is ITPRQPQRMBYNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-8-4-5-11(22)10(3)14(8)21-16(18)12(17(19)23)13(20-21)15-9(2)6-7-24-15/h4-7,22H,18H2,1-3H3,(H2,19,23).
What are the key properties of 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(3-methylfuran-2-yl)pyrazole-4-carboxamide?
5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(3-methylfuran-2-yl)pyrazole-4-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(3-methylfuran-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 171827510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).