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

C22H20N4O3 — CID 171827629

IUPAC5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(4-phenylfuran-2-yl)pyrazole-4-carboxamide
SMILESCc1ccc(O)c(C)c1-n1nc(-c2cc(-c3ccccc3)co2)c(C(N)=O)c1N
InChIInChI=1S/C22H20N4O3/c1-12-8-9-16(27)13(2)20(12)26-21(23)18(22(24)28)19(25-26)17-10-15(11-29-17)14-6-4-3-5-7-14/h3-11,27H,23H2,1-2H3,(H2,24,28)
InChIKeyPPDPXNFAMVRLLP-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.80
Rot. Bonds4

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

5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(4-phenylfuran-2-yl)pyrazole-4-carboxamide (PubChem CID 171827629) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(4-phenylfuran-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(4-phenylfuran-2-yl)pyrazole-4-carboxamide
PubChem CID171827629
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(4-phenylfuran-2-yl)pyrazole-4-carboxamide
SMILESCc1ccc(O)c(C)c1-n1nc(-c2cc(-c3ccccc3)co2)c(C(N)=O)c1N
InChIInChI=1S/C22H20N4O3/c1-12-8-9-16(27)13(2)20(12)26-21(23)18(22(24)28)19(25-26)17-10-15(11-29-17)14-6-4-3-5-7-14/h3-11,27H,23H2,1-2H3,(H2,24,28)
InChIKeyPPDPXNFAMVRLLP-UHFFFAOYSA-N
XLogP3.80
TPSA120.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(4-phenylfuran-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(4-phenylfuran-2-yl)pyrazole-4-carboxamide (CID 171827629) is 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(4-phenylfuran-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(4-phenylfuran-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(4-phenylfuran-2-yl)pyrazole-4-carboxamide is Cc1ccc(O)c(C)c1-n1nc(-c2cc(-c3ccccc3)co2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(4-phenylfuran-2-yl)pyrazole-4-carboxamide?
The InChIKey is PPDPXNFAMVRLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-12-8-9-16(27)13(2)20(12)26-21(23)18(22(24)28)19(25-26)17-10-15(11-29-17)14-6-4-3-5-7-14/h3-11,27H,23H2,1-2H3,(H2,24,28).
What are the key properties of 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(4-phenylfuran-2-yl)pyrazole-4-carboxamide?
5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(4-phenylfuran-2-yl)pyrazole-4-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.80, 4 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-(4-phenylfuran-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 171827629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).