2-chloro-5-[(1-ethenylpyrazol-4-yl)methylamino]-N-methylbenzamide

C14H15ClN4O — CID 106936516

IUPAC2-chloro-5-[(1-ethenylpyrazol-4-yl)methylamino]-N-methylbenzamide
SMILESC=Cn1cc(CNc2ccc(Cl)c(C(=O)NC)c2)cn1
InChIInChI=1S/C14H15ClN4O/c1-3-19-9-10(8-18-19)7-17-11-4-5-13(15)12(6-11)14(20)16-2/h3-6,8-9,17H,1,7H2,2H3,(H,16,20)
InChIKeyJDHASWVPFXDIFL-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.61
Rot. Bonds5

About 2-chloro-5-[(1-ethenylpyrazol-4-yl)methylamino]-N-methylbenzamide

2-chloro-5-[(1-ethenylpyrazol-4-yl)methylamino]-N-methylbenzamide (PubChem CID 106936516) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-5-[(1-ethenylpyrazol-4-yl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(1-ethenylpyrazol-4-yl)methylamino]-N-methylbenzamide
PubChem CID106936516
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name2-chloro-5-[(1-ethenylpyrazol-4-yl)methylamino]-N-methylbenzamide
SMILESC=Cn1cc(CNc2ccc(Cl)c(C(=O)NC)c2)cn1
InChIInChI=1S/C14H15ClN4O/c1-3-19-9-10(8-18-19)7-17-11-4-5-13(15)12(6-11)14(20)16-2/h3-6,8-9,17H,1,7H2,2H3,(H,16,20)
InChIKeyJDHASWVPFXDIFL-UHFFFAOYSA-N
XLogP2.61
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 54865176
4-chloro-N-[(1-ethenylpyrazol-4-yl)methyl]-3-nitroaniline
CID 106936120
2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide
CID 54864534
2-chloro-N-[(1-ethenylpyrazol-4-yl)methyl]-5-methylaniline
CID 107094615
ethyl 4-[(1-ethenylpyrazol-4-yl)methylamino]benzoate
CID 106935650
1-[5-[(1-ethenylpyrazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 106935907
N-[3-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylphenyl]acetamide
CID 106936305
N-[(1-ethenylpyrazol-4-yl)methyl]-4-methoxyaniline
CID 106935387
N-[(1-ethenylpyrazol-4-yl)methyl]-4-propylaniline
CID 106935518
2,4,5-trichloro-N-[(1-ethenylpyrazol-4-yl)methyl]aniline
CID 106935218
4-[(1-ethenylpyrazol-4-yl)methylamino]benzenesulfonamide
CID 106935292
N-[(1-ethenylpyrazol-4-yl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 106936642

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(1-ethenylpyrazol-4-yl)methylamino]-N-methylbenzamide?
The IUPAC name of 2-chloro-5-[(1-ethenylpyrazol-4-yl)methylamino]-N-methylbenzamide (CID 106936516) is 2-chloro-5-[(1-ethenylpyrazol-4-yl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-[(1-ethenylpyrazol-4-yl)methylamino]-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-[(1-ethenylpyrazol-4-yl)methylamino]-N-methylbenzamide is C=Cn1cc(CNc2ccc(Cl)c(C(=O)NC)c2)cn1.
What is the InChIKey of 2-chloro-5-[(1-ethenylpyrazol-4-yl)methylamino]-N-methylbenzamide?
The InChIKey is JDHASWVPFXDIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-3-19-9-10(8-18-19)7-17-11-4-5-13(15)12(6-11)14(20)16-2/h3-6,8-9,17H,1,7H2,2H3,(H,16,20).
What are the key properties of 2-chloro-5-[(1-ethenylpyrazol-4-yl)methylamino]-N-methylbenzamide?
2-chloro-5-[(1-ethenylpyrazol-4-yl)methylamino]-N-methylbenzamide has a molecular weight of 290.75 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(1-ethenylpyrazol-4-yl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 106936516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).