4-methyl-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide

C23H24N4O2 — CID 1037571

IUPAC4-methyl-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide
SMILESCc1ccc(C(=O)Nc2c(C(=O)N3CCCCC3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C23H24N4O2/c1-17-10-12-18(13-11-17)22(28)25-21-20(23(29)26-14-6-3-7-15-26)16-24-27(21)19-8-4-2-5-9-19/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,25,28)
InChIKeySSYGJYTZOLWKRI-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.06
Rot. Bonds4

About 4-methyl-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide

4-methyl-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide (PubChem CID 1037571) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-methyl-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide
PubChem CID1037571
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name4-methyl-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide
SMILESCc1ccc(C(=O)Nc2c(C(=O)N3CCCCC3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C23H24N4O2/c1-17-10-12-18(13-11-17)22(28)25-21-20(23(29)26-14-6-3-7-15-26)16-24-27(21)19-8-4-2-5-9-19/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,25,28)
InChIKeySSYGJYTZOLWKRI-UHFFFAOYSA-N
XLogP4.06
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide?
The IUPAC name of 4-methyl-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide (CID 1037571) is 4-methyl-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide?
The canonical SMILES for 4-methyl-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide is Cc1ccc(C(=O)Nc2c(C(=O)N3CCCCC3)cnn2-c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide?
The InChIKey is SSYGJYTZOLWKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-17-10-12-18(13-11-17)22(28)25-21-20(23(29)26-14-6-3-7-15-26)16-24-27(21)19-8-4-2-5-9-19/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,25,28).
What are the key properties of 4-methyl-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide?
4-methyl-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-phenyl-4-(piperidine-1-carbonyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 1037571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).