N-(3-butoxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C16H24N4O2 — CID 38028641

IUPACN-(3-butoxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCCCOCCCNC(=O)c1cnn(C)c1-n1cccc1
InChIInChI=1S/C16H24N4O2/c1-3-4-11-22-12-7-8-17-15(21)14-13-18-19(2)16(14)20-9-5-6-10-20/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,17,21)
InChIKeyZPBUQIYWRAOPFF-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.15
Rot. Bonds9

About N-(3-butoxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-(3-butoxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 38028641) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(3-butoxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID38028641
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-(3-butoxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCCCOCCCNC(=O)c1cnn(C)c1-n1cccc1
InChIInChI=1S/C16H24N4O2/c1-3-4-11-22-12-7-8-17-15(21)14-13-18-19(2)16(14)20-9-5-6-10-20/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,17,21)
InChIKeyZPBUQIYWRAOPFF-UHFFFAOYSA-N
XLogP2.15
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.15
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

N-(3-imidazol-1-ylpropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 47028243
N-heptan-2-yl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51053307
1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39888789
N-[3-(2-hydroxyethoxy)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 113364754
1-methyl-N-[(4-phenoxyphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 60618949
N-(3-butoxypropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791814
N-butyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915300
N-(3-butoxypropyl)-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 30767452
5-amino-N-butyl-1-methylpyrazole-4-carboxamide
CID 80503275
N-(4-hydroxy-2,2-dimethylbutyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 103772991
4-[[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 100634698
4-(3-methoxypropylcarbamoyl)-1-methylpyrazole-5-carboxylic acid
CID 19623815

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3-butoxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 38028641) is N-(3-butoxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is CCCCOCCCNC(=O)c1cnn(C)c1-n1cccc1.
What is the InChIKey of N-(3-butoxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is ZPBUQIYWRAOPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-3-4-11-22-12-7-8-17-15(21)14-13-18-19(2)16(14)20-9-5-6-10-20/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,17,21).
What are the key properties of N-(3-butoxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-(3-butoxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 38028641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).