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

C13H16N4O — CID 54888919

IUPACN-methyl-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CNc2ccn(C)n2)cc1
InChIInChI=1S/C13H16N4O/c1-14-13(18)11-5-3-10(4-6-11)9-15-12-7-8-17(2)16-12/h3-8H,9H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyMSHZACHUYVYICC-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.39
Rot. Bonds4

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

N-methyl-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzamide (PubChem CID 54888919) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-methyl-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzamide
PubChem CID54888919
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-methyl-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CNc2ccn(C)n2)cc1
InChIInChI=1S/C13H16N4O/c1-14-13(18)11-5-3-10(4-6-11)9-15-12-7-8-17(2)16-12/h3-8H,9H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyMSHZACHUYVYICC-UHFFFAOYSA-N
XLogP1.39
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]acetic acid
CID 103256802
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CID 79778850
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(1-methylpyrazol-3-yl)benzamide
CID 55498792
N-methyl-4-[[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]benzamide
CID 133290911
2,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide
CID 87024503
1-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-3-amine
CID 66400028
4-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 4865337
N-methyl-4-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]benzamide
CID 75509675
N-methyl-4-(phosphanylmethyl)benzamide
CID 143273405
4-[[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methyl]-N-methylbenzamide
CID 111457597
4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718
N-methyl-4-[(3-pyrazol-1-ylpropylamino)methyl]benzamide
CID 115592031

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzamide (CID 54888919) is N-methyl-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzamide is CNC(=O)c1ccc(CNc2ccn(C)n2)cc1.
What is the InChIKey of N-methyl-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzamide?
The InChIKey is MSHZACHUYVYICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-14-13(18)11-5-3-10(4-6-11)9-15-12-7-8-17(2)16-12/h3-8H,9H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of N-methyl-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzamide?
N-methyl-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzamide has a molecular weight of 244.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzamide is sourced from PubChem (CID 54888919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).