N-[3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenyl]propanamide

C25H25N3O2 — CID 3741958

IUPACN-[3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C2=NN(c3ccccc3)C(c3ccc(OC)cc3)C2)c1
InChIInChI=1S/C25H25N3O2/c1-3-25(29)26-20-9-7-8-19(16-20)23-17-24(18-12-14-22(30-2)15-13-18)28(27-23)21-10-5-4-6-11-21/h4-16,24H,3,17H2,1-2H3,(H,26,29)
InChIKeyNJKIPOWWPROVJF-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.40
Rot. Bonds6

About N-[3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenyl]propanamide

N-[3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenyl]propanamide (PubChem CID 3741958) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenyl]propanamide
PubChem CID3741958
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C2=NN(c3ccccc3)C(c3ccc(OC)cc3)C2)c1
InChIInChI=1S/C25H25N3O2/c1-3-25(29)26-20-9-7-8-19(16-20)23-17-24(18-12-14-22(30-2)15-13-18)28(27-23)21-10-5-4-6-11-21/h4-16,24H,3,17H2,1-2H3,(H,26,29)
InChIKeyNJKIPOWWPROVJF-UHFFFAOYSA-N
XLogP5.40
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenyl]propanamide?
The IUPAC name of N-[3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenyl]propanamide (CID 3741958) is N-[3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenyl]propanamide?
The canonical SMILES for N-[3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenyl]propanamide is CCC(=O)Nc1cccc(C2=NN(c3ccccc3)C(c3ccc(OC)cc3)C2)c1.
What is the InChIKey of N-[3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenyl]propanamide?
The InChIKey is NJKIPOWWPROVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-3-25(29)26-20-9-7-8-19(16-20)23-17-24(18-12-14-22(30-2)15-13-18)28(27-23)21-10-5-4-6-11-21/h4-16,24H,3,17H2,1-2H3,(H,26,29).
What are the key properties of N-[3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenyl]propanamide?
N-[3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenyl]propanamide has a molecular weight of 399.49 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenyl]propanamide is sourced from PubChem (CID 3741958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).