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

C13H15ClN4O — CID 110473949

IUPAC3-amino-4-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)c(N)c1)c1cnn(C)c1
InChIInChI=1S/C13H15ClN4O/c1-8(10-6-16-18(2)7-10)17-13(19)9-3-4-11(14)12(15)5-9/h3-8H,15H2,1-2H3,(H,17,19)
InChIKeyFJBDLJGPGKSCEG-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.15
Rot. Bonds3

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

3-amino-4-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide (PubChem CID 110473949) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
PubChem CID110473949
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name3-amino-4-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)c(N)c1)c1cnn(C)c1
InChIInChI=1S/C13H15ClN4O/c1-8(10-6-16-18(2)7-10)17-13(19)9-3-4-11(14)12(15)5-9/h3-8H,15H2,1-2H3,(H,17,19)
InChIKeyFJBDLJGPGKSCEG-UHFFFAOYSA-N
XLogP2.15
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 35761538
3-amino-4-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 81355966
N-[1-(1-methylpyrazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 45147221
2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110472970
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 81359194
2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]-5-methylsulfanylbenzamide
CID 45147156
3-amino-4-chloro-N-(1-thiophen-3-ylethyl)benzamide
CID 62840598
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290403
3-chloro-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110473486
3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide
CID 43545232
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide
CID 61249263
5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 35276397

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-amino-4-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide (CID 110473949) is 3-amino-4-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-4-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide is CC(NC(=O)c1ccc(Cl)c(N)c1)c1cnn(C)c1.
What is the InChIKey of 3-amino-4-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is FJBDLJGPGKSCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-8(10-6-16-18(2)7-10)17-13(19)9-3-4-11(14)12(15)5-9/h3-8H,15H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-4-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide?
3-amino-4-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 278.74 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 110473949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).