2-(4-methylbenzoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide

C22H23N3O2 — CID 19328159

IUPAC2-(4-methylbenzoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)NCCCn2cc(C)cn2)cc1
InChIInChI=1S/C22H23N3O2/c1-16-8-10-18(11-9-16)21(26)19-6-3-4-7-20(19)22(27)23-12-5-13-25-15-17(2)14-24-25/h3-4,6-11,14-15H,5,12-13H2,1-2H3,(H,23,27)
InChIKeyFUNRLYMDPLPDSI-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.55
Rot. Bonds7

About 2-(4-methylbenzoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide

2-(4-methylbenzoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide (PubChem CID 19328159) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(4-methylbenzoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2-(4-methylbenzoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
PubChem CID19328159
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(4-methylbenzoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)NCCCn2cc(C)cn2)cc1
InChIInChI=1S/C22H23N3O2/c1-16-8-10-18(11-9-16)21(26)19-6-3-4-7-20(19)22(27)23-12-5-13-25-15-17(2)14-24-25/h3-4,6-11,14-15H,5,12-13H2,1-2H3,(H,23,27)
InChIKeyFUNRLYMDPLPDSI-UHFFFAOYSA-N
XLogP3.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylbenzoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide?
The IUPAC name of 2-(4-methylbenzoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide (CID 19328159) is 2-(4-methylbenzoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide.
What is the SMILES notation for 2-(4-methylbenzoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide?
The canonical SMILES for 2-(4-methylbenzoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide is Cc1ccc(C(=O)c2ccccc2C(=O)NCCCn2cc(C)cn2)cc1.
What is the InChIKey of 2-(4-methylbenzoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide?
The InChIKey is FUNRLYMDPLPDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-8-10-18(11-9-16)21(26)19-6-3-4-7-20(19)22(27)23-12-5-13-25-15-17(2)14-24-25/h3-4,6-11,14-15H,5,12-13H2,1-2H3,(H,23,27).
What are the key properties of 2-(4-methylbenzoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide?
2-(4-methylbenzoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide has a molecular weight of 361.45 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylbenzoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide is sourced from PubChem (CID 19328159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).