N-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-dimethylpyrazole-3-carboxamide

C16H22N4O — CID 131938566

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCN(C)Cc1ccccc1CN(C)C(=O)c1ccnn1C
InChIInChI=1S/C16H22N4O/c1-18(2)11-13-7-5-6-8-14(13)12-19(3)16(21)15-9-10-17-20(15)4/h5-10H,11-12H2,1-4H3
InChIKeyLVHRAGYSRJLKNC-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.75
Rot. Bonds5

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-dimethylpyrazole-3-carboxamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-dimethylpyrazole-3-carboxamide (PubChem CID 131938566) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-dimethylpyrazole-3-carboxamide
PubChem CID131938566
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCN(C)Cc1ccccc1CN(C)C(=O)c1ccnn1C
InChIInChI=1S/C16H22N4O/c1-18(2)11-13-7-5-6-8-14(13)12-19(3)16(21)15-9-10-17-20(15)4/h5-10H,11-12H2,1-4H3
InChIKeyLVHRAGYSRJLKNC-UHFFFAOYSA-N
XLogP1.75
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-N,2-dimethylpyrazole-3-carboxamide
CID 63391388
N-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide
CID 19575699
N,2-dimethyl-N-phenylpyrazole-3-carboxamide
CID 110467101
2-methyl-N,N-diphenylpyrazole-3-carboxamide
CID 167438235
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-2-methylpyrazole-3-carboxamide
CID 62921137
1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 43663267
N-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 66126875
methyl 4-[methyl-(2-methylpyrazole-3-carbonyl)amino]butanoate
CID 55006160
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(1,3-dimethylpyrazol-4-yl)-N-methylbenzamide
CID 122557349
3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
CID 115345752
N-(2-aminoethyl)-N-benzyl-2-methylpyrazole-3-carboxamide
CID 62920452
N-[(2-bromophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide
CID 103511075

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-dimethylpyrazole-3-carboxamide (CID 131938566) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-dimethylpyrazole-3-carboxamide is CN(C)Cc1ccccc1CN(C)C(=O)c1ccnn1C.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-dimethylpyrazole-3-carboxamide?
The InChIKey is LVHRAGYSRJLKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-18(2)11-13-7-5-6-8-14(13)12-19(3)16(21)15-9-10-17-20(15)4/h5-10H,11-12H2,1-4H3.
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-dimethylpyrazole-3-carboxamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-dimethylpyrazole-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 131938566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).