N-(2-ethyl-2,5-dihydroxypentyl)-3-(1-methylpyrazol-4-yl)benzamide

C18H25N3O3 — CID 119073913

IUPACN-(2-ethyl-2,5-dihydroxypentyl)-3-(1-methylpyrazol-4-yl)benzamide
SMILESCCC(O)(CCCO)CNC(=O)c1cccc(-c2cnn(C)c2)c1
InChIInChI=1S/C18H25N3O3/c1-3-18(24,8-5-9-22)13-19-17(23)15-7-4-6-14(10-15)16-11-20-21(2)12-16/h4,6-7,10-12,22,24H,3,5,8-9,13H2,1-2H3,(H,19,23)
InChIKeyMLIPXSSKAWOIQG-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.73
Rot. Bonds8

About N-(2-ethyl-2,5-dihydroxypentyl)-3-(1-methylpyrazol-4-yl)benzamide

N-(2-ethyl-2,5-dihydroxypentyl)-3-(1-methylpyrazol-4-yl)benzamide (PubChem CID 119073913) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(2-ethyl-2,5-dihydroxypentyl)-3-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(2-ethyl-2,5-dihydroxypentyl)-3-(1-methylpyrazol-4-yl)benzamide
PubChem CID119073913
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(2-ethyl-2,5-dihydroxypentyl)-3-(1-methylpyrazol-4-yl)benzamide
SMILESCCC(O)(CCCO)CNC(=O)c1cccc(-c2cnn(C)c2)c1
InChIInChI=1S/C18H25N3O3/c1-3-18(24,8-5-9-22)13-19-17(23)15-7-4-6-14(10-15)16-11-20-21(2)12-16/h4,6-7,10-12,22,24H,3,5,8-9,13H2,1-2H3,(H,19,23)
InChIKeyMLIPXSSKAWOIQG-UHFFFAOYSA-N
XLogP1.73
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 110486267
N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide
CID 110486270
N-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide
CID 110486259
3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide
CID 119059594
3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide
CID 110486276
N-[(2S)-2,5-dihydroxy-2-methylpentyl]-3-(4-fluorophenyl)benzamide
CID 125167425
N-[(2R)-2,5-dihydroxy-2-methylpentyl]-3-(3,6-dimethylpyrazin-2-yl)benzamide
CID 125174711
3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111483358
N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide
CID 65111998
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 170510996
N-[4-(7-hydroxy-4-oxoheptyl)-1-phenylimidazol-2-yl]-3-(1-methylpyrazol-4-yl)benzamide
CID 167602229
N-(2-ethyl-2-hydroxybutyl)-3-pyrrol-1-ylbenzamide
CID 65113690

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2,5-dihydroxypentyl)-3-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of N-(2-ethyl-2,5-dihydroxypentyl)-3-(1-methylpyrazol-4-yl)benzamide (CID 119073913) is N-(2-ethyl-2,5-dihydroxypentyl)-3-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for N-(2-ethyl-2,5-dihydroxypentyl)-3-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for N-(2-ethyl-2,5-dihydroxypentyl)-3-(1-methylpyrazol-4-yl)benzamide is CCC(O)(CCCO)CNC(=O)c1cccc(-c2cnn(C)c2)c1.
What is the InChIKey of N-(2-ethyl-2,5-dihydroxypentyl)-3-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is MLIPXSSKAWOIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-18(24,8-5-9-22)13-19-17(23)15-7-4-6-14(10-15)16-11-20-21(2)12-16/h4,6-7,10-12,22,24H,3,5,8-9,13H2,1-2H3,(H,19,23).
What are the key properties of N-(2-ethyl-2,5-dihydroxypentyl)-3-(1-methylpyrazol-4-yl)benzamide?
N-(2-ethyl-2,5-dihydroxypentyl)-3-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 331.42 g/mol, XLogP of 1.73, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2,5-dihydroxypentyl)-3-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 119073913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).