5-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-[2-(4-hydroxycyclohexa-2,4-dien-1-yl)ethyl]-4-phenyl-3,4-dihydropyrazole-3-carboxamide

C30H33N3O2 — CID 89468518

IUPAC5-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-[2-(4-hydroxycyclohexa-2,4-dien-1-yl)ethyl]-4-phenyl-3,4-dihydropyrazole-3-carboxamide
SMILESO=C(NCCC1C=CC(O)=CC1)C1C(c2ccccc2)C(C2=CC=CCC2)=NN1C1=CCCC=C1
InChIInChI=1S/C30H33N3O2/c34-26-18-16-22(17-19-26)20-21-31-30(35)29-27(23-10-4-1-5-11-23)28(24-12-6-2-7-13-24)32-33(29)25-14-8-3-9-15-25/h1-2,4-6,8,10-12,14-16,18-19,22,27,29,34H,3,7,9,13,17,20-21H2,(H,31,35)
InChIKeyMCMZRFHHCJPTNP-UHFFFAOYSA-N
MW467.61 g/mol
LogP5.84
Rot. Bonds7

About 5-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-[2-(4-hydroxycyclohexa-2,4-dien-1-yl)ethyl]-4-phenyl-3,4-dihydropyrazole-3-carboxamide

5-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-[2-(4-hydroxycyclohexa-2,4-dien-1-yl)ethyl]-4-phenyl-3,4-dihydropyrazole-3-carboxamide (PubChem CID 89468518) has the molecular formula C30H33N3O2 and a molecular weight of 467.61 g/mol. Its IUPAC name is 5-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-[2-(4-hydroxycyclohexa-2,4-dien-1-yl)ethyl]-4-phenyl-3,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-[2-(4-hydroxycyclohexa-2,4-dien-1-yl)ethyl]-4-phenyl-3,4-dihydropyrazole-3-carboxamide
PubChem CID89468518
Molecular FormulaC30H33N3O2
Molecular Weight467.61 g/mol
Exact Mass467.26
IUPAC Name5-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-[2-(4-hydroxycyclohexa-2,4-dien-1-yl)ethyl]-4-phenyl-3,4-dihydropyrazole-3-carboxamide
SMILESO=C(NCCC1C=CC(O)=CC1)C1C(c2ccccc2)C(C2=CC=CCC2)=NN1C1=CCCC=C1
InChIInChI=1S/C30H33N3O2/c34-26-18-16-22(17-19-26)20-21-31-30(35)29-27(23-10-4-1-5-11-23)28(24-12-6-2-7-13-24)32-33(29)25-14-8-3-9-15-25/h1-2,4-6,8,10-12,14-16,18-19,22,27,29,34H,3,7,9,13,17,20-21H2,(H,31,35)
InChIKeyMCMZRFHHCJPTNP-UHFFFAOYSA-N
XLogP5.84
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-[2-(4-hydroxycyclohexa-2,4-dien-1-yl)ethyl]-4-phenyl-3,4-dihydropyrazole-3-carboxamide with MolForge

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Related Compounds

(2S)-2-acetamido-N-[(2S)-1-[[(1S)-1-[2-methyl-3-(2-methylpropyl)-3,4-dihydropyrazol-5-yl]-2-phenylethyl]amino]-1-oxopropan-2-yl]-3-phenylpropanamide
CID 53343550

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-[2-(4-hydroxycyclohexa-2,4-dien-1-yl)ethyl]-4-phenyl-3,4-dihydropyrazole-3-carboxamide?
The IUPAC name of 5-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-[2-(4-hydroxycyclohexa-2,4-dien-1-yl)ethyl]-4-phenyl-3,4-dihydropyrazole-3-carboxamide (CID 89468518) is 5-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-[2-(4-hydroxycyclohexa-2,4-dien-1-yl)ethyl]-4-phenyl-3,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-[2-(4-hydroxycyclohexa-2,4-dien-1-yl)ethyl]-4-phenyl-3,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for 5-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-[2-(4-hydroxycyclohexa-2,4-dien-1-yl)ethyl]-4-phenyl-3,4-dihydropyrazole-3-carboxamide is O=C(NCCC1C=CC(O)=CC1)C1C(c2ccccc2)C(C2=CC=CCC2)=NN1C1=CCCC=C1.
What is the InChIKey of 5-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-[2-(4-hydroxycyclohexa-2,4-dien-1-yl)ethyl]-4-phenyl-3,4-dihydropyrazole-3-carboxamide?
The InChIKey is MCMZRFHHCJPTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O2/c34-26-18-16-22(17-19-26)20-21-31-30(35)29-27(23-10-4-1-5-11-23)28(24-12-6-2-7-13-24)32-33(29)25-14-8-3-9-15-25/h1-2,4-6,8,10-12,14-16,18-19,22,27,29,34H,3,7,9,13,17,20-21H2,(H,31,35).
What are the key properties of 5-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-[2-(4-hydroxycyclohexa-2,4-dien-1-yl)ethyl]-4-phenyl-3,4-dihydropyrazole-3-carboxamide?
5-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-[2-(4-hydroxycyclohexa-2,4-dien-1-yl)ethyl]-4-phenyl-3,4-dihydropyrazole-3-carboxamide has a molecular weight of 467.61 g/mol, XLogP of 5.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-[2-(4-hydroxycyclohexa-2,4-dien-1-yl)ethyl]-4-phenyl-3,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 89468518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).