N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide

C12H12Cl2N4O — CID 79523235

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide
SMILESCn1ncc(CNC(=O)c2cccc(Cl)c2Cl)c1N
InChIInChI=1S/C12H12Cl2N4O/c1-18-11(15)7(6-17-18)5-16-12(19)8-3-2-4-9(13)10(8)14/h2-4,6H,5,15H2,1H3,(H,16,19)
InChIKeyNDOHRVOGMUAMMC-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.24
Rot. Bonds3

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide (PubChem CID 79523235) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide
PubChem CID79523235
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide
SMILESCn1ncc(CNC(=O)c2cccc(Cl)c2Cl)c1N
InChIInChI=1S/C12H12Cl2N4O/c1-18-11(15)7(6-17-18)5-16-12(19)8-3-2-4-9(13)10(8)14/h2-4,6H,5,15H2,1H3,(H,16,19)
InChIKeyNDOHRVOGMUAMMC-UHFFFAOYSA-N
XLogP2.24
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]benzamide
CID 19322901
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-chloro-6-nitrobenzamide
CID 79531423
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 79531446
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-methyl-2-nitrobenzamide
CID 79531428
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-chloro-5-nitrobenzamide
CID 79531298
3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-nitrobenzamide
CID 103861041
2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-nitrobenzamide
CID 106033223
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-6-hydroxybenzamide
CID 107015976
N-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide
CID 103110309
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 106032732
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide
CID 79523593
N-[(5-amino-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 79524448

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide (CID 79523235) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide is Cn1ncc(CNC(=O)c2cccc(Cl)c2Cl)c1N.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide?
The InChIKey is NDOHRVOGMUAMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-18-11(15)7(6-17-18)5-16-12(19)8-3-2-4-9(13)10(8)14/h2-4,6H,5,15H2,1H3,(H,16,19).
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide has a molecular weight of 299.16 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide is sourced from PubChem (CID 79523235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).