3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide

C13H13Cl2N3O — CID 35761538

IUPAC3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1cnn(C)c1
InChIInChI=1S/C13H13Cl2N3O/c1-8(10-6-16-18(2)7-10)17-13(19)9-3-4-11(14)12(15)5-9/h3-8H,1-2H3,(H,17,19)/t8-/m1/s1
InChIKeyVPKLPJAMGRXQLN-MRVPVSSYSA-N
MW298.17 g/mol
LogP3.22
Rot. Bonds3

About 3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide

3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide (PubChem CID 35761538) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
PubChem CID35761538
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1cnn(C)c1
InChIInChI=1S/C13H13Cl2N3O/c1-8(10-6-16-18(2)7-10)17-13(19)9-3-4-11(14)12(15)5-9/h3-8H,1-2H3,(H,17,19)/t8-/m1/s1
InChIKeyVPKLPJAMGRXQLN-MRVPVSSYSA-N
XLogP3.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110473949
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
2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]-5-methylsulfanylbenzamide
CID 45147156
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
3,4-dichloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 55360682
5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 35276397
5-hydroxy-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
CID 86285442
5-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
CID 99974698
3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 48663587
3-chloro-4-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91795698

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide (CID 35761538) is 3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide is C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1cnn(C)c1.
What is the InChIKey of 3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is VPKLPJAMGRXQLN-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-8(10-6-16-18(2)7-10)17-13(19)9-3-4-11(14)12(15)5-9/h3-8H,1-2H3,(H,17,19)/t8-/m1/s1.
What are the key properties of 3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide?
3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 298.17 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 35761538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).