3-amino-2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

C14H17ClN4O — CID 115930594

IUPAC3-amino-2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C14H17ClN4O/c1-8-11(9(2)19(3)18-8)7-17-14(20)10-5-4-6-12(16)13(10)15/h4-6H,7,16H2,1-3H3,(H,17,20)
InChIKeyKTZMHUUWUZHKNG-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.20
Rot. Bonds3

About 3-amino-2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

3-amino-2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (PubChem CID 115930594) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-amino-2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
PubChem CID115930594
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name3-amino-2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C14H17ClN4O/c1-8-11(9(2)19(3)18-8)7-17-14(20)10-5-4-6-12(16)13(10)15/h4-6H,7,16H2,1-3H3,(H,17,20)
InChIKeyKTZMHUUWUZHKNG-UHFFFAOYSA-N
XLogP2.20
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.20
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

2-amino-4-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79225523
3-fluoro-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79231656
3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 79231418
2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768025
3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 112575105
2-hydroxy-5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 103713370
4-amino-3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 104783069
4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79036409
3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 79225452
3-amino-2-chloro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]benzamide
CID 115930610
3,6-dichloro-2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 110443051
N-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide
CID 103110309

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3-amino-2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (CID 115930594) is 3-amino-2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-amino-2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is Cc1nn(C)c(C)c1CNC(=O)c1cccc(N)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The InChIKey is KTZMHUUWUZHKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-8-11(9(2)19(3)18-8)7-17-14(20)10-5-4-6-12(16)13(10)15/h4-6H,7,16H2,1-3H3,(H,17,20).
What are the key properties of 3-amino-2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
3-amino-2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide has a molecular weight of 292.77 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 115930594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).