N-[[2-(dimethylamino)-4-methylphenyl]methyl]-1-methylpyrazole-4-carboxamide

C15H20N4O — CID 71922829

IUPACN-[[2-(dimethylamino)-4-methylphenyl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cnn(C)c2)c(N(C)C)c1
InChIInChI=1S/C15H20N4O/c1-11-5-6-12(14(7-11)18(2)3)8-16-15(20)13-9-17-19(4)10-13/h5-7,9-10H,8H2,1-4H3,(H,16,20)
InChIKeyZSJKKBSTIHPDHR-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.72
Rot. Bonds4

About N-[[2-(dimethylamino)-4-methylphenyl]methyl]-1-methylpyrazole-4-carboxamide

N-[[2-(dimethylamino)-4-methylphenyl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 71922829) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-4-methylphenyl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-4-methylphenyl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID71922829
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[[2-(dimethylamino)-4-methylphenyl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cnn(C)c2)c(N(C)C)c1
InChIInChI=1S/C15H20N4O/c1-11-5-6-12(14(7-11)18(2)3)8-16-15(20)13-9-17-19(4)10-13/h5-7,9-10H,8H2,1-4H3,(H,16,20)
InChIKeyZSJKKBSTIHPDHR-UHFFFAOYSA-N
XLogP1.72
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 86925542
2,6-dichloro-N-[[2-(dimethylamino)-4-methylphenyl]methyl]pyridine-4-carboxamide
CID 167845702
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 71972398
N'-ethyl-1-methyl-N'-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 9183242
N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 167858795
4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375355
1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]pyrazole-4-carboxamide
CID 138042455
3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375354
2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375361
N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 86994452
N-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide
CID 82757494

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-4-methylphenyl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)-4-methylphenyl]methyl]-1-methylpyrazole-4-carboxamide (CID 71922829) is N-[[2-(dimethylamino)-4-methylphenyl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-4-methylphenyl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-4-methylphenyl]methyl]-1-methylpyrazole-4-carboxamide is Cc1ccc(CNC(=O)c2cnn(C)c2)c(N(C)C)c1.
What is the InChIKey of N-[[2-(dimethylamino)-4-methylphenyl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is ZSJKKBSTIHPDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-5-6-12(14(7-11)18(2)3)8-16-15(20)13-9-17-19(4)10-13/h5-7,9-10H,8H2,1-4H3,(H,16,20).
What are the key properties of N-[[2-(dimethylamino)-4-methylphenyl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[2-(dimethylamino)-4-methylphenyl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-4-methylphenyl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 71922829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).