N-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide

C17H24N4O2 — CID 110373057

IUPACN-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCCCN(C)C)cc2C)cc1
InChIInChI=1S/C17H24N4O2/c1-13-12-16(17(22)18-10-5-11-20(2)3)19-21(13)14-6-8-15(23-4)9-7-14/h6-9,12H,5,10-11H2,1-4H3,(H,18,22)
InChIKeyNRXYLKPGWWOQLM-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.87
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide

N-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide (PubChem CID 110373057) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
PubChem CID110373057
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCCCN(C)C)cc2C)cc1
InChIInChI=1S/C17H24N4O2/c1-13-12-16(17(22)18-10-5-11-20(2)3)19-21(13)14-6-8-15(23-4)9-7-14/h6-9,12H,5,10-11H2,1-4H3,(H,18,22)
InChIKeyNRXYLKPGWWOQLM-UHFFFAOYSA-N
XLogP1.87
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide
CID 110373105
3-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid
CID 120524985
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372766
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
1-(3-methoxyphenyl)-5-methyl-N-propylpyrazole-3-carboxamide
CID 110373151
N-[3-(dimethylamino)propyl]-5-(3-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 17052442
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373118
N-butyl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 110372680
4-[[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542009
2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 120518700
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide (CID 110373057) is N-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide is COc1ccc(-n2nc(C(=O)NCCCN(C)C)cc2C)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide?
The InChIKey is NRXYLKPGWWOQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13-12-16(17(22)18-10-5-11-20(2)3)19-21(13)14-6-8-15(23-4)9-7-14/h6-9,12H,5,10-11H2,1-4H3,(H,18,22).
What are the key properties of N-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide?
N-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110373057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).