N-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzamide

C15H20N4O — CID 107095654

IUPACN-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(NCc2cnn(C(C)C)c2)cc1
InChIInChI=1S/C15H20N4O/c1-11(2)19-10-12(9-18-19)8-17-14-6-4-13(5-7-14)15(20)16-3/h4-7,9-11,17H,8H2,1-3H3,(H,16,20)
InChIKeyJMYAYZCVDHXOTC-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.44
Rot. Bonds5

About N-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzamide

N-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzamide (PubChem CID 107095654) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzamide
PubChem CID107095654
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(NCc2cnn(C(C)C)c2)cc1
InChIInChI=1S/C15H20N4O/c1-11(2)19-10-12(9-18-19)8-17-14-6-4-13(5-7-14)15(20)16-3/h4-7,9-11,17H,8H2,1-3H3,(H,16,20)
InChIKeyJMYAYZCVDHXOTC-UHFFFAOYSA-N
XLogP2.44
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzoate
CID 106704320
4-iodo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103825724
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 103825746
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
CID 103817805
6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 103816369
3-bromo-4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103818279
4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718
N-methyl-4-[(4-propylanilino)methyl]benzamide
CID 60980914
4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide
CID 60985488
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103720504
2-N,2-N-diethyl-5-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 103823681
4-[(1-tert-butylpyrazol-4-yl)methylamino]benzoic acid
CID 43774375

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzamide?
The IUPAC name of N-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzamide (CID 107095654) is N-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzamide.
What is the SMILES notation for N-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzamide?
The canonical SMILES for N-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzamide is CNC(=O)c1ccc(NCc2cnn(C(C)C)c2)cc1.
What is the InChIKey of N-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzamide?
The InChIKey is JMYAYZCVDHXOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)19-10-12(9-18-19)8-17-14-6-4-13(5-7-14)15(20)16-3/h4-7,9-11,17H,8H2,1-3H3,(H,16,20).
What are the key properties of N-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzamide?
N-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzamide has a molecular weight of 272.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 107095654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).