3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C14H18N4O — CID 47375354

IUPAC3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCc2cnn(C)c2)c1
InChIInChI=1S/C14H18N4O/c1-17(2)13-6-4-5-12(7-13)14(19)15-8-11-9-16-18(3)10-11/h4-7,9-10H,8H2,1-3H3,(H,15,19)
InChIKeyOACBASRJHOVYSV-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.42
Rot. Bonds4

About 3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide

3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 47375354) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID47375354
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCc2cnn(C)c2)c1
InChIInChI=1S/C14H18N4O/c1-17(2)13-6-4-5-12(7-13)14(19)15-8-11-9-16-18(3)10-11/h4-7,9-10H,8H2,1-3H3,(H,15,19)
InChIKeyOACBASRJHOVYSV-UHFFFAOYSA-N
XLogP1.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375355
3-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292435
3-(N'-hydroxycarbamimidoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 76928206
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231911
N-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47364492
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide
CID 32636517
N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide
CID 7922599
3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 113434699
3-[[(1-methylpyrazol-4-yl)methylamino]methyl]-N-propylbenzamide
CID 60614085
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide
CID 110469163

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 47375354) is 3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide is CN(C)c1cccc(C(=O)NCc2cnn(C)c2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is OACBASRJHOVYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17(2)13-6-4-5-12(7-13)14(19)15-8-11-9-16-18(3)10-11/h4-7,9-10H,8H2,1-3H3,(H,15,19).
What are the key properties of 3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 258.32 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 47375354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).