N-butyl-4-methyl-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide

C21H24N4O — CID 74232629

IUPACN-butyl-4-methyl-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCCCCN(Cc1ccccn1)C(=O)c1[nH]nc(-c2ccccc2)c1C
InChIInChI=1S/C21H24N4O/c1-3-4-14-25(15-18-12-8-9-13-22-18)21(26)20-16(2)19(23-24-20)17-10-6-5-7-11-17/h5-13H,3-4,14-15H2,1-2H3,(H,23,24)
InChIKeyFJOHOPSILUDENJ-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.22
Rot. Bonds7

About N-butyl-4-methyl-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide

N-butyl-4-methyl-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 74232629) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-butyl-4-methyl-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-4-methyl-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID74232629
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-butyl-4-methyl-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCCCCN(Cc1ccccn1)C(=O)c1[nH]nc(-c2ccccc2)c1C
InChIInChI=1S/C21H24N4O/c1-3-4-14-25(15-18-12-8-9-13-22-18)21(26)20-16(2)19(23-24-20)17-10-6-5-7-11-17/h5-13H,3-4,14-15H2,1-2H3,(H,23,24)
InChIKeyFJOHOPSILUDENJ-UHFFFAOYSA-N
XLogP4.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentyl-N-(pyridin-2-ylmethyl)acetamide
CID 46206176
methyl 2-[butyl(pyridin-2-ylmethyl)carbamoyl]benzoate
CID 42778769
5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 155491458
1-butyl-3-(2-methylsulfonylethyl)-1-(pyridin-2-ylmethyl)urea
CID 122562929
ethane;ethyl 4-methyl-3-phenyl-1H-pyrazole-5-carboxylate
CID 171093697
N-benzyl-N-octylpyridine-2-carboxamide
CID 42778827
N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 55981283
ethyl 4-butoxy-3-phenyl-1H-pyrazole-5-carboxylate
CID 70245232
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674
3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide
CID 113120223
5-[bis(pyridin-2-ylmethyl)amino]hexanoic acid
CID 141092997
N-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-5-carboxamide
CID 126773744

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methyl-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-butyl-4-methyl-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 74232629) is N-butyl-4-methyl-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-butyl-4-methyl-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-butyl-4-methyl-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide is CCCCN(Cc1ccccn1)C(=O)c1[nH]nc(-c2ccccc2)c1C.
What is the InChIKey of N-butyl-4-methyl-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is FJOHOPSILUDENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-3-4-14-25(15-18-12-8-9-13-22-18)21(26)20-16(2)19(23-24-20)17-10-6-5-7-11-17/h5-13H,3-4,14-15H2,1-2H3,(H,23,24).
What are the key properties of N-butyl-4-methyl-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide?
N-butyl-4-methyl-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methyl-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 74232629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).