N-[5-(5-ethyl-2,4-dihydroxyphenyl)-1H-pyrazol-4-yl]-3,3-dimethylbutanamide

C17H23N3O3 — CID 135428590

IUPACN-[5-(5-ethyl-2,4-dihydroxyphenyl)-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
SMILESCCc1cc(-c2[nH]ncc2NC(=O)CC(C)(C)C)c(O)cc1O
InChIInChI=1S/C17H23N3O3/c1-5-10-6-11(14(22)7-13(10)21)16-12(9-18-20-16)19-15(23)8-17(2,3)4/h6-7,9,21-22H,5,8H2,1-4H3,(H,18,20)(H,19,23)
InChIKeyAOULDEDLGXCNAA-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.42
Rot. Bonds4

About N-[5-(5-ethyl-2,4-dihydroxyphenyl)-1H-pyrazol-4-yl]-3,3-dimethylbutanamide

N-[5-(5-ethyl-2,4-dihydroxyphenyl)-1H-pyrazol-4-yl]-3,3-dimethylbutanamide (PubChem CID 135428590) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[5-(5-ethyl-2,4-dihydroxyphenyl)-1H-pyrazol-4-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[5-(5-ethyl-2,4-dihydroxyphenyl)-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
PubChem CID135428590
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[5-(5-ethyl-2,4-dihydroxyphenyl)-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
SMILESCCc1cc(-c2[nH]ncc2NC(=O)CC(C)(C)C)c(O)cc1O
InChIInChI=1S/C17H23N3O3/c1-5-10-6-11(14(22)7-13(10)21)16-12(9-18-20-16)19-15(23)8-17(2,3)4/h6-7,9,21-22H,5,8H2,1-4H3,(H,18,20)(H,19,23)
InChIKeyAOULDEDLGXCNAA-UHFFFAOYSA-N
XLogP3.42
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(3,3-dimethylbutanoylamino)-1H-pyrazole-5-carboxylate
CID 154947792
4-ethyl-6-[4-(1H-imidazol-5-yl)-1H-pyrazol-5-yl]benzene-1,3-diol
CID 656975
4-ethyl-6-[5-(1,3-thiazol-4-yl)-1H-pyrazol-4-yl]benzene-1,3-diol
CID 58948835
4-tert-butylsulfanyl-N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]butanamide
CID 99801788
N-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 110776589
3-amino-3-methyl-N-(5-methyl-1H-pyrazol-4-yl)butanamide
CID 83618200
N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide
CID 43246651
N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 60653327
N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 81287916
N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 884679
N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide
CID 16781358
ethyl 3-bromo-4-(3,3-dimethylbutanoylamino)benzoate
CID 43623852

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-ethyl-2,4-dihydroxyphenyl)-1H-pyrazol-4-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[5-(5-ethyl-2,4-dihydroxyphenyl)-1H-pyrazol-4-yl]-3,3-dimethylbutanamide (CID 135428590) is N-[5-(5-ethyl-2,4-dihydroxyphenyl)-1H-pyrazol-4-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[5-(5-ethyl-2,4-dihydroxyphenyl)-1H-pyrazol-4-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[5-(5-ethyl-2,4-dihydroxyphenyl)-1H-pyrazol-4-yl]-3,3-dimethylbutanamide is CCc1cc(-c2[nH]ncc2NC(=O)CC(C)(C)C)c(O)cc1O.
What is the InChIKey of N-[5-(5-ethyl-2,4-dihydroxyphenyl)-1H-pyrazol-4-yl]-3,3-dimethylbutanamide?
The InChIKey is AOULDEDLGXCNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-5-10-6-11(14(22)7-13(10)21)16-12(9-18-20-16)19-15(23)8-17(2,3)4/h6-7,9,21-22H,5,8H2,1-4H3,(H,18,20)(H,19,23).
What are the key properties of N-[5-(5-ethyl-2,4-dihydroxyphenyl)-1H-pyrazol-4-yl]-3,3-dimethylbutanamide?
N-[5-(5-ethyl-2,4-dihydroxyphenyl)-1H-pyrazol-4-yl]-3,3-dimethylbutanamide has a molecular weight of 317.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-ethyl-2,4-dihydroxyphenyl)-1H-pyrazol-4-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 135428590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).