4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide

C18H20N4O — CID 87041675

IUPAC4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCC1=NN(c2ccc(C(=O)NCc3cccc(C)n3)cc2)CC1
InChIInChI=1S/C18H20N4O/c1-13-4-3-5-16(20-13)12-19-18(23)15-6-8-17(9-7-15)22-11-10-14(2)21-22/h3-9H,10-12H2,1-2H3,(H,19,23)
InChIKeyFPNAQCWGDMXYKE-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.91
Rot. Bonds4

About 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide

4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide (PubChem CID 87041675) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
PubChem CID87041675
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCC1=NN(c2ccc(C(=O)NCc3cccc(C)n3)cc2)CC1
InChIInChI=1S/C18H20N4O/c1-13-4-3-5-16(20-13)12-19-18(23)15-6-8-17(9-7-15)22-11-10-14(2)21-22/h3-9H,10-12H2,1-2H3,(H,19,23)
InChIKeyFPNAQCWGDMXYKE-UHFFFAOYSA-N
XLogP2.91
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide (CID 87041675) is 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide is CC1=NN(c2ccc(C(=O)NCc3cccc(C)n3)cc2)CC1.
What is the InChIKey of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The InChIKey is FPNAQCWGDMXYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-4-3-5-16(20-13)12-19-18(23)15-6-8-17(9-7-15)22-11-10-14(2)21-22/h3-9H,10-12H2,1-2H3,(H,19,23).
What are the key properties of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide has a molecular weight of 308.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 87041675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).