4-chloro-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C14H16ClN3O2 — CID 47451958

IUPAC4-chloro-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCOc1cc(Cl)ccc1C(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C14H16ClN3O2/c1-17(8-10-7-16-18(2)9-10)14(19)12-5-4-11(15)6-13(12)20-3/h4-7,9H,8H2,1-3H3
InChIKeyOTIWHIPCYRFHOH-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.35
Rot. Bonds4

About 4-chloro-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

4-chloro-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 47451958) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID47451958
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name4-chloro-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCOc1cc(Cl)ccc1C(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C14H16ClN3O2/c1-17(8-10-7-16-18(2)9-10)14(19)12-5-4-11(15)6-13(12)20-3/h4-7,9H,8H2,1-3H3
InChIKeyOTIWHIPCYRFHOH-UHFFFAOYSA-N
XLogP2.35
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-chloro-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 47451958) is 4-chloro-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is COc1cc(Cl)ccc1C(=O)N(C)Cc1cnn(C)c1.
What is the InChIKey of 4-chloro-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is OTIWHIPCYRFHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-17(8-10-7-16-18(2)9-10)14(19)12-5-4-11(15)6-13(12)20-3/h4-7,9H,8H2,1-3H3.
What are the key properties of 4-chloro-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
4-chloro-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 293.75 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 47451958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).