4-chloro-N-[3-[methyl-(2-methylpyrazol-3-yl)amino]-3-oxopropyl]benzamide

C15H17ClN4O2 — CID 167896529

IUPAC4-chloro-N-[3-[methyl-(2-methylpyrazol-3-yl)amino]-3-oxopropyl]benzamide
SMILESCN(C(=O)CCNC(=O)c1ccc(Cl)cc1)c1ccnn1C
InChIInChI=1S/C15H17ClN4O2/c1-19(13-7-10-18-20(13)2)14(21)8-9-17-15(22)11-3-5-12(16)6-4-11/h3-7,10H,8-9H2,1-2H3,(H,17,22)
InChIKeyABVSZDPTTUUOHA-UHFFFAOYSA-N
MW320.78 g/mol
LogP1.86
Rot. Bonds5

About 4-chloro-N-[3-[methyl-(2-methylpyrazol-3-yl)amino]-3-oxopropyl]benzamide

4-chloro-N-[3-[methyl-(2-methylpyrazol-3-yl)amino]-3-oxopropyl]benzamide (PubChem CID 167896529) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 4-chloro-N-[3-[methyl-(2-methylpyrazol-3-yl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[methyl-(2-methylpyrazol-3-yl)amino]-3-oxopropyl]benzamide
PubChem CID167896529
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name4-chloro-N-[3-[methyl-(2-methylpyrazol-3-yl)amino]-3-oxopropyl]benzamide
SMILESCN(C(=O)CCNC(=O)c1ccc(Cl)cc1)c1ccnn1C
InChIInChI=1S/C15H17ClN4O2/c1-19(13-7-10-18-20(13)2)14(21)8-9-17-15(22)11-3-5-12(16)6-4-11/h3-7,10H,8-9H2,1-2H3,(H,17,22)
InChIKeyABVSZDPTTUUOHA-UHFFFAOYSA-N
XLogP1.86
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[methyl-(2-methylpyrazol-3-yl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[methyl-(2-methylpyrazol-3-yl)amino]-3-oxopropyl]benzamide (CID 167896529) is 4-chloro-N-[3-[methyl-(2-methylpyrazol-3-yl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[methyl-(2-methylpyrazol-3-yl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[methyl-(2-methylpyrazol-3-yl)amino]-3-oxopropyl]benzamide is CN(C(=O)CCNC(=O)c1ccc(Cl)cc1)c1ccnn1C.
What is the InChIKey of 4-chloro-N-[3-[methyl-(2-methylpyrazol-3-yl)amino]-3-oxopropyl]benzamide?
The InChIKey is ABVSZDPTTUUOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-19(13-7-10-18-20(13)2)14(21)8-9-17-15(22)11-3-5-12(16)6-4-11/h3-7,10H,8-9H2,1-2H3,(H,17,22).
What are the key properties of 4-chloro-N-[3-[methyl-(2-methylpyrazol-3-yl)amino]-3-oxopropyl]benzamide?
4-chloro-N-[3-[methyl-(2-methylpyrazol-3-yl)amino]-3-oxopropyl]benzamide has a molecular weight of 320.78 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[methyl-(2-methylpyrazol-3-yl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 167896529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).