5-(3-phenoxyphenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide

C25H25N3O2 — CID 46217403

IUPAC5-(3-phenoxyphenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide
SMILESCC(C)C1=NNC(c2cccc(Oc3ccccc3)c2)C1C(=O)Nc1ccccc1
InChIInChI=1S/C25H25N3O2/c1-17(2)23-22(25(29)26-19-11-5-3-6-12-19)24(28-27-23)18-10-9-15-21(16-18)30-20-13-7-4-8-14-20/h3-17,22,24,28H,1-2H3,(H,26,29)
InChIKeyAWMUSIVKKBEMDP-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.39
Rot. Bonds6

About 5-(3-phenoxyphenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide

5-(3-phenoxyphenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide (PubChem CID 46217403) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 5-(3-phenoxyphenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-phenoxyphenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide
PubChem CID46217403
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name5-(3-phenoxyphenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide
SMILESCC(C)C1=NNC(c2cccc(Oc3ccccc3)c2)C1C(=O)Nc1ccccc1
InChIInChI=1S/C25H25N3O2/c1-17(2)23-22(25(29)26-19-11-5-3-6-12-19)24(28-27-23)18-10-9-15-21(16-18)30-20-13-7-4-8-14-20/h3-17,22,24,28H,1-2H3,(H,26,29)
InChIKeyAWMUSIVKKBEMDP-UHFFFAOYSA-N
XLogP5.39
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide
CID 46217205
(4R,5S)-4-[3-(4-chlorophenoxy)phenyl]-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide
CID 2365905
(2R)-2-(3-phenoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 1025278
2-acetyl-N,3-diphenyl-5-propan-2-yl-3,4-dihydropyrazole-4-carboxamide
CID 46217005
phenoxybenzene;N-phenylacetamide
CID 174350344
5-methyl-7-(3-phenoxyphenyl)-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135922233
2-methyl-N-(3-phenoxyphenyl)butanamide
CID 53364670
2-oxo-N-(3-phenoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 75835575
1-methyl-3-(3-phenoxyphenyl)urea
CID 47127200
2-acetyl-3-(4-fluorophenyl)-N-phenyl-5-propan-2-yl-3,4-dihydropyrazole-4-carboxamide
CID 46217104
2,2-dimethyl-N-[4-[3-[4-(2-methylbutanoylamino)phenoxy]phenoxy]phenyl]cyclopropane-1-carboxamide
CID 142046560
2-(3-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4069010

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenoxyphenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-phenoxyphenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide (CID 46217403) is 5-(3-phenoxyphenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-phenoxyphenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-phenoxyphenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide is CC(C)C1=NNC(c2cccc(Oc3ccccc3)c2)C1C(=O)Nc1ccccc1.
What is the InChIKey of 5-(3-phenoxyphenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide?
The InChIKey is AWMUSIVKKBEMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-17(2)23-22(25(29)26-19-11-5-3-6-12-19)24(28-27-23)18-10-9-15-21(16-18)30-20-13-7-4-8-14-20/h3-17,22,24,28H,1-2H3,(H,26,29).
What are the key properties of 5-(3-phenoxyphenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide?
5-(3-phenoxyphenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenoxyphenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 46217403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).