N-[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclobutanecarboxamide

C24H30N4O5 — CID 93131858

IUPACN-[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1
InChIInChI=1S/C24H30N4O5/c29-23(17-27(24(30)18-4-1-5-18)9-8-26-10-14-31-15-11-26)28-20(22-7-3-13-33-22)16-19(25-28)21-6-2-12-32-21/h2-3,6-7,12-13,18,20H,1,4-5,8-11,14-17H2/t20-/m0/s1
InChIKeyMKORPHOHQVELLQ-FQEVSTJZSA-N
MW454.53 g/mol
LogP2.51
Rot. Bonds8

About N-[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclobutanecarboxamide

N-[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclobutanecarboxamide (PubChem CID 93131858) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclobutanecarboxamide
PubChem CID93131858
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC NameN-[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1
InChIInChI=1S/C24H30N4O5/c29-23(17-27(24(30)18-4-1-5-18)9-8-26-10-14-31-15-11-26)28-20(22-7-3-13-33-22)16-19(25-28)21-6-2-12-32-21/h2-3,6-7,12-13,18,20H,1,4-5,8-11,14-17H2/t20-/m0/s1
InChIKeyMKORPHOHQVELLQ-FQEVSTJZSA-N
XLogP2.51
TPSA91.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclobutanecarboxamide
CID 93131859
N-[2-[(3S)-5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclobutanecarboxamide
CID 93129974
N-[2-[(3R)-3,5-bis(2-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
CID 98403963
N-[2-[3-(furan-2-yl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 42817536
N-[2-[(3R)-3-(4-methoxyphenyl)-5-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclobutanecarboxamide
CID 93134151
N-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
CID 83289057
N-[2-[(3S)-3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclobutanecarboxamide
CID 93133837
N-[2-[(3S)-3-(4-chlorophenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclobutanecarboxamide
CID 93132742
N-[2-[(3R)-5-(2-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclobutanecarboxamide
CID 93130401
N-[2-[(3R)-5-(2-chlorophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
CID 98439377
N-[2-[3-(2-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
CID 83289067
N-[2-[(3R)-5-(2-fluorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
CID 93130797

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclobutanecarboxamide?
The IUPAC name of N-[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclobutanecarboxamide (CID 93131858) is N-[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclobutanecarboxamide?
The canonical SMILES for N-[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclobutanecarboxamide is O=C(C1CCC1)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1.
What is the InChIKey of N-[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclobutanecarboxamide?
The InChIKey is MKORPHOHQVELLQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H30N4O5/c29-23(17-27(24(30)18-4-1-5-18)9-8-26-10-14-31-15-11-26)28-20(22-7-3-13-33-22)16-19(25-28)21-6-2-12-32-21/h2-3,6-7,12-13,18,20H,1,4-5,8-11,14-17H2/t20-/m0/s1.
What are the key properties of N-[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclobutanecarboxamide?
N-[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclobutanecarboxamide has a molecular weight of 454.53 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclobutanecarboxamide is sourced from PubChem (CID 93131858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).