1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide

C17H23N3O2 — CID 110373105

IUPAC1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide
SMILESCCCCCNC(=O)c1cc(C)n(-c2ccc(OC)cc2)n1
InChIInChI=1S/C17H23N3O2/c1-4-5-6-11-18-17(21)16-12-13(2)20(19-16)14-7-9-15(22-3)10-8-14/h7-10,12H,4-6,11H2,1-3H3,(H,18,21)
InChIKeyDZPZLWIUWHDFNL-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.11
Rot. Bonds7

About 1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide

1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide (PubChem CID 110373105) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide
PubChem CID110373105
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide
SMILESCCCCCNC(=O)c1cc(C)n(-c2ccc(OC)cc2)n1
InChIInChI=1S/C17H23N3O2/c1-4-5-6-11-18-17(21)16-12-13(2)20(19-16)14-7-9-15(22-3)10-8-14/h7-10,12H,4-6,11H2,1-3H3,(H,18,21)
InChIKeyDZPZLWIUWHDFNL-UHFFFAOYSA-N
XLogP3.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373057
N-butyl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 110372680
1-(3-methoxyphenyl)-5-methyl-N-propylpyrazole-3-carboxamide
CID 110373151
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372766
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
N-[4-(4-fluorophenoxy)butyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55760014
(2S,3S)-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-3-methylpentanoic acid
CID 120517390
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373118
N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 42755291
4-[[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542009
3-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid
CID 120524985
4-methoxy-N-pentylbenzamide
CID 3113360

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide (CID 110373105) is 1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide is CCCCCNC(=O)c1cc(C)n(-c2ccc(OC)cc2)n1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide?
The InChIKey is DZPZLWIUWHDFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-5-6-11-18-17(21)16-12-13(2)20(19-16)14-7-9-15(22-3)10-8-14/h7-10,12H,4-6,11H2,1-3H3,(H,18,21).
What are the key properties of 1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide?
1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide is sourced from PubChem (CID 110373105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).