N-(2-benzylbutyl)-2-methylpyrazole-3-carboxamide

C16H21N3O — CID 131949973

IUPACN-(2-benzylbutyl)-2-methylpyrazole-3-carboxamide
SMILESCCC(CNC(=O)c1ccnn1C)Cc1ccccc1
InChIInChI=1S/C16H21N3O/c1-3-13(11-14-7-5-4-6-8-14)12-17-16(20)15-9-10-18-19(15)2/h4-10,13H,3,11-12H2,1-2H3,(H,17,20)
InChIKeyVUUQIZTYOACJRX-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.42
Rot. Bonds6

About N-(2-benzylbutyl)-2-methylpyrazole-3-carboxamide

N-(2-benzylbutyl)-2-methylpyrazole-3-carboxamide (PubChem CID 131949973) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-benzylbutyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzylbutyl)-2-methylpyrazole-3-carboxamide
PubChem CID131949973
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(2-benzylbutyl)-2-methylpyrazole-3-carboxamide
SMILESCCC(CNC(=O)c1ccnn1C)Cc1ccccc1
InChIInChI=1S/C16H21N3O/c1-3-13(11-14-7-5-4-6-8-14)12-17-16(20)15-9-10-18-19(15)2/h4-10,13H,3,11-12H2,1-2H3,(H,17,20)
InChIKeyVUUQIZTYOACJRX-UHFFFAOYSA-N
XLogP2.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethyl-2-hydroxypentyl)-2-methylpyrazole-3-carboxamide
CID 103658436
(2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 107833827
2-methoxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 106107552
2-methyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide
CID 81478587
6-amino-N-(2-benzylbutyl)pyridazine-3-carboxamide
CID 164906032
N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide
CID 110281226
3-[[(2-methylpyrazole-3-carbonyl)amino]methyl]benzoic acid
CID 60894251
2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide
CID 110467135
N-(2-benzylbutyl)piperazine-1-carboxamide
CID 131936268
N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide
CID 113228891
1-(2-methylpyrazol-3-yl)-2-phenylbutan-1-one
CID 114972525
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylbutyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-benzylbutyl)-2-methylpyrazole-3-carboxamide (CID 131949973) is N-(2-benzylbutyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-benzylbutyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-benzylbutyl)-2-methylpyrazole-3-carboxamide is CCC(CNC(=O)c1ccnn1C)Cc1ccccc1.
What is the InChIKey of N-(2-benzylbutyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is VUUQIZTYOACJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-13(11-14-7-5-4-6-8-14)12-17-16(20)15-9-10-18-19(15)2/h4-10,13H,3,11-12H2,1-2H3,(H,17,20).
What are the key properties of N-(2-benzylbutyl)-2-methylpyrazole-3-carboxamide?
N-(2-benzylbutyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylbutyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 131949973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).