N-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide

C29H34F2N4O3 — CID 83289057

IUPACN-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
SMILESO=C(C1CCCC1)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)CC1c1ccc(F)cc1
InChIInChI=1S/C29H34F2N4O3/c30-24-9-5-21(6-10-24)26-19-27(22-7-11-25(31)12-8-22)35(32-26)28(36)20-34(29(37)23-3-1-2-4-23)14-13-33-15-17-38-18-16-33/h5-12,23,27H,1-4,13-20H2
InChIKeyDISJMVAWMSNJEE-UHFFFAOYSA-N
MW524.61 g/mol
LogP3.99
Rot. Bonds8

About N-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide

N-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide (PubChem CID 83289057) has the molecular formula C29H34F2N4O3 and a molecular weight of 524.61 g/mol. Its IUPAC name is N-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
PubChem CID83289057
Molecular FormulaC29H34F2N4O3
Molecular Weight524.61 g/mol
Exact Mass524.26
IUPAC NameN-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
SMILESO=C(C1CCCC1)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)CC1c1ccc(F)cc1
InChIInChI=1S/C29H34F2N4O3/c30-24-9-5-21(6-10-24)26-19-27(22-7-11-25(31)12-8-22)35(32-26)28(36)20-34(29(37)23-3-1-2-4-23)14-13-33-15-17-38-18-16-33/h5-12,23,27H,1-4,13-20H2
InChIKeyDISJMVAWMSNJEE-UHFFFAOYSA-N
XLogP3.99
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.61
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
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-[(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-[(3S)-3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclobutanecarboxamide
CID 93133837
1-[2-[(3S)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-tert-butyl-1-(2-morpholin-4-ylethyl)urea
CID 93130310
N-[2-[5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 51067525
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-[(3S)-5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 93132010
N-[2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide
CID 93130833
N-[2-[(3R)-3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
CID 93129888
N-[2-[(3R)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-methoxy-N-(2-morpholin-4-ylethyl)acetamide
CID 93130811

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide?
The IUPAC name of N-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide (CID 83289057) is N-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide?
The canonical SMILES for N-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide is O=C(C1CCCC1)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)CC1c1ccc(F)cc1.
What is the InChIKey of N-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide?
The InChIKey is DISJMVAWMSNJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F2N4O3/c30-24-9-5-21(6-10-24)26-19-27(22-7-11-25(31)12-8-22)35(32-26)28(36)20-34(29(37)23-3-1-2-4-23)14-13-33-15-17-38-18-16-33/h5-12,23,27H,1-4,13-20H2.
What are the key properties of N-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide?
N-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide has a molecular weight of 524.61 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide is sourced from PubChem (CID 83289057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).