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

C19H20N4O3 — CID 171827552

IUPAC5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(2-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1-c1nn(-c2c(C)ccc(O)c2C)c(N)c1C(N)=O
InChIInChI=1S/C19H20N4O3/c1-10-8-9-13(24)11(2)17(10)23-18(20)15(19(21)25)16(22-23)12-6-4-5-7-14(12)26-3/h4-9,24H,20H2,1-3H3,(H2,21,25)
InChIKeyAKVSUDWRZJEKBD-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.55
Rot. Bonds4

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

5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(2-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 171827552) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(2-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(2-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID171827552
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(2-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1-c1nn(-c2c(C)ccc(O)c2C)c(N)c1C(N)=O
InChIInChI=1S/C19H20N4O3/c1-10-8-9-13(24)11(2)17(10)23-18(20)15(19(21)25)16(22-23)12-6-4-5-7-14(12)26-3/h4-9,24H,20H2,1-3H3,(H2,21,25)
InChIKeyAKVSUDWRZJEKBD-UHFFFAOYSA-N
XLogP2.55
TPSA116.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.55
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-(2-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(2-methoxyphenyl)pyrazole-4-carboxamide (CID 171827552) is 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(2-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(2-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(2-methoxyphenyl)pyrazole-4-carboxamide is COc1ccccc1-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-(2-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is AKVSUDWRZJEKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-10-8-9-13(24)11(2)17(10)23-18(20)15(19(21)25)16(22-23)12-6-4-5-7-14(12)26-3/h4-9,24H,20H2,1-3H3,(H2,21,25).
What are the key properties of 5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(2-methoxyphenyl)pyrazole-4-carboxamide?
5-amino-1-(3-hydroxy-2,6-dimethylphenyl)-3-(2-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.55, 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-(2-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 171827552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).