3-(dimethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

C14H18N4O — CID 54896754

IUPAC3-(dimethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCc1[nH]ncc1CNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H18N4O/c1-10-12(9-16-17-10)8-15-14(19)11-5-4-6-13(7-11)18(2)3/h4-7,9H,8H2,1-3H3,(H,15,19)(H,16,17)
InChIKeySPRQOFHYNXDTIV-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.71
Rot. Bonds4

About 3-(dimethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

3-(dimethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide (PubChem CID 54896754) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
PubChem CID54896754
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-(dimethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCc1[nH]ncc1CNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H18N4O/c1-10-12(9-16-17-10)8-15-14(19)11-5-4-6-13(7-11)18(2)3/h4-7,9H,8H2,1-3H3,(H,15,19)(H,16,17)
InChIKeySPRQOFHYNXDTIV-UHFFFAOYSA-N
XLogP1.71
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736056
2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 61021913
3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 81421879
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998598
2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 113277766
3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 63186397
3-(dimethylamino)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzamide
CID 110742450
N-[2-[[3-(dimethylamino)benzoyl]amino]ethyl]-1H-pyrazole-5-carboxamide
CID 75475736
3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231911
3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375354
3-(dimethylamino)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110666436
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 62178161

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide (CID 54896754) is 3-(dimethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide is Cc1[nH]ncc1CNC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The InChIKey is SPRQOFHYNXDTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-12(9-16-17-10)8-15-14(19)11-5-4-6-13(7-11)18(2)3/h4-7,9H,8H2,1-3H3,(H,15,19)(H,16,17).
What are the key properties of 3-(dimethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
3-(dimethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide has a molecular weight of 258.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 54896754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).