4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

C16H22N4O — CID 110444483

IUPAC4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H22N4O/c1-11-15(12(2)20(5)18-11)10-17-16(21)13-6-8-14(9-7-13)19(3)4/h6-9H,10H2,1-5H3,(H,17,21)
InChIKeyCGUHVJWSTQOPJL-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.03
Rot. Bonds4

About 4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (PubChem CID 110444483) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
PubChem CID110444483
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H22N4O/c1-11-15(12(2)20(5)18-11)10-17-16(21)13-6-8-14(9-7-13)19(3)4/h6-9H,10H2,1-5H3,(H,17,21)
InChIKeyCGUHVJWSTQOPJL-UHFFFAOYSA-N
XLogP2.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79036409
3-[4-(dimethylamino)phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 110441139
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 112530043
3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 19282242
4-amino-3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 104783069
3-(dimethylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110444418
5-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 79038700
2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 79237744
3-[3-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623635
4-(diethylamino)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide
CID 86850984
5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 79036410
3-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 79036382

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (CID 110444483) is 4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is Cc1nn(C)c(C)c1CNC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The InChIKey is CGUHVJWSTQOPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-15(12(2)20(5)18-11)10-17-16(21)13-6-8-14(9-7-13)19(3)4/h6-9H,10H2,1-5H3,(H,17,21).
What are the key properties of 4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide has a molecular weight of 286.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 110444483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).