3-[[(1-methylpyrazol-4-yl)methylamino]methyl]-N-propylbenzamide

C16H22N4O — CID 60614085

IUPAC3-[[(1-methylpyrazol-4-yl)methylamino]methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(CNCc2cnn(C)c2)c1
InChIInChI=1S/C16H22N4O/c1-3-7-18-16(21)15-6-4-5-13(8-15)9-17-10-14-11-19-20(2)12-14/h4-6,8,11-12,17H,3,7,9-10H2,1-2H3,(H,18,21)
InChIKeyYQQZQCTVLOQNKA-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.85
Rot. Bonds7

About 3-[[(1-methylpyrazol-4-yl)methylamino]methyl]-N-propylbenzamide

3-[[(1-methylpyrazol-4-yl)methylamino]methyl]-N-propylbenzamide (PubChem CID 60614085) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[[(1-methylpyrazol-4-yl)methylamino]methyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[(1-methylpyrazol-4-yl)methylamino]methyl]-N-propylbenzamide
PubChem CID60614085
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-[[(1-methylpyrazol-4-yl)methylamino]methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(CNCc2cnn(C)c2)c1
InChIInChI=1S/C16H22N4O/c1-3-7-18-16(21)15-6-4-5-13(8-15)9-17-10-14-11-19-20(2)12-14/h4-6,8,11-12,17H,3,7,9-10H2,1-2H3,(H,18,21)
InChIKeyYQQZQCTVLOQNKA-UHFFFAOYSA-N
XLogP1.85
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide
CID 43664759
3-bromo-N-[3-[(1-methylpyrazol-4-yl)methylamino]propyl]benzamide
CID 119107005
3-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292435
3-[[(2-phenyltriazol-4-yl)methylamino]methyl]-N-propylbenzamide
CID 60614443
4-[[[3-(propylcarbamoyl)phenyl]methylamino]methyl]benzoic acid
CID 122030411
3-bromo-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 52869461
3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375354
3-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
CID 126964493
3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]-N-propylbenzamide
CID 119041393
3-(N'-hydroxycarbamimidoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 76928206
3-[(2-bromophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292346
3-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 78982638

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-methylpyrazol-4-yl)methylamino]methyl]-N-propylbenzamide?
The IUPAC name of 3-[[(1-methylpyrazol-4-yl)methylamino]methyl]-N-propylbenzamide (CID 60614085) is 3-[[(1-methylpyrazol-4-yl)methylamino]methyl]-N-propylbenzamide.
What is the SMILES notation for 3-[[(1-methylpyrazol-4-yl)methylamino]methyl]-N-propylbenzamide?
The canonical SMILES for 3-[[(1-methylpyrazol-4-yl)methylamino]methyl]-N-propylbenzamide is CCCNC(=O)c1cccc(CNCc2cnn(C)c2)c1.
What is the InChIKey of 3-[[(1-methylpyrazol-4-yl)methylamino]methyl]-N-propylbenzamide?
The InChIKey is YQQZQCTVLOQNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-7-18-16(21)15-6-4-5-13(8-15)9-17-10-14-11-19-20(2)12-14/h4-6,8,11-12,17H,3,7,9-10H2,1-2H3,(H,18,21).
What are the key properties of 3-[[(1-methylpyrazol-4-yl)methylamino]methyl]-N-propylbenzamide?
3-[[(1-methylpyrazol-4-yl)methylamino]methyl]-N-propylbenzamide has a molecular weight of 286.38 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-methylpyrazol-4-yl)methylamino]methyl]-N-propylbenzamide is sourced from PubChem (CID 60614085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).