5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide

C14H16ClN3O2 — CID 841893

IUPAC5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1cn(C)nc1C
InChIInChI=1S/C14H16ClN3O2/c1-9-10(8-18(2)17-9)7-16-14(19)12-6-11(15)4-5-13(12)20-3/h4-6,8H,7H2,1-3H3,(H,16,19)
InChIKeyIACZBFXVSGCLON-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.32
Rot. Bonds4

About 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide

5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide (PubChem CID 841893) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide
PubChem CID841893
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1cn(C)nc1C
InChIInChI=1S/C14H16ClN3O2/c1-9-10(8-18(2)17-9)7-16-14(19)12-6-11(15)4-5-13(12)20-3/h4-6,8H,7H2,1-3H3,(H,16,19)
InChIKeyIACZBFXVSGCLON-UHFFFAOYSA-N
XLogP2.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide (CID 841893) is 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCc1cn(C)nc1C.
What is the InChIKey of 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide?
The InChIKey is IACZBFXVSGCLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-9-10(8-18(2)17-9)7-16-14(19)12-6-11(15)4-5-13(12)20-3/h4-6,8H,7H2,1-3H3,(H,16,19).
What are the key properties of 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide?
5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide has a molecular weight of 293.75 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 841893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).