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

C14H18N4O — CID 47375355

IUPAC4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCc2cnn(C)c2)cc1
InChIInChI=1S/C14H18N4O/c1-17(2)13-6-4-12(5-7-13)14(19)15-8-11-9-16-18(3)10-11/h4-7,9-10H,8H2,1-3H3,(H,15,19)
InChIKeyPVACIZOYRQELBS-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.42
Rot. Bonds4

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

4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 47375355) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID47375355
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCc2cnn(C)c2)cc1
InChIInChI=1S/C14H18N4O/c1-17(2)13-6-4-12(5-7-13)14(19)15-8-11-9-16-18(3)10-11/h4-7,9-10H,8H2,1-3H3,(H,15,19)
InChIKeyPVACIZOYRQELBS-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

3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375354
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61343888
3-hydroxy-4-iodo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 113434699
4-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 122561579
4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-3-sulfanylbenzamide
CID 107027465
4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292350
N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 110467140
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
3-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292435
5-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 63861037

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 47375355) is 4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide is CN(C)c1ccc(C(=O)NCc2cnn(C)c2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is PVACIZOYRQELBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17(2)13-6-4-12(5-7-13)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 4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
4-(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 4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 47375355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).