N-(2-methoxyethyl)-N-[2-[(3R)-5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]cyclobutanecarboxamide

C27H33N3O5 — CID 93133357

IUPACN-(2-methoxyethyl)-N-[2-[(3R)-5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]cyclobutanecarboxamide
SMILESCOCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(OC)cc1)C(=O)C1CCC1
InChIInChI=1S/C27H33N3O5/c1-33-15-14-29(27(32)20-6-4-7-20)18-26(31)30-25(19-10-12-22(34-2)13-11-19)17-24(28-30)21-8-5-9-23(16-21)35-3/h5,8-13,16,20,25H,4,6-7,14-15,17-18H2,1-3H3/t25-/m1/s1
InChIKeyVRYQWVVPKUQOBG-RUZDIDTESA-N
MW479.58 g/mol
LogP3.66
Rot. Bonds10

About N-(2-methoxyethyl)-N-[2-[(3R)-5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]cyclobutanecarboxamide

N-(2-methoxyethyl)-N-[2-[(3R)-5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]cyclobutanecarboxamide (PubChem CID 93133357) has the molecular formula C27H33N3O5 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[2-[(3R)-5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[2-[(3R)-5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]cyclobutanecarboxamide
PubChem CID93133357
Molecular FormulaC27H33N3O5
Molecular Weight479.58 g/mol
Exact Mass479.24
IUPAC NameN-(2-methoxyethyl)-N-[2-[(3R)-5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]cyclobutanecarboxamide
SMILESCOCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(OC)cc1)C(=O)C1CCC1
InChIInChI=1S/C27H33N3O5/c1-33-15-14-29(27(32)20-6-4-7-20)18-26(31)30-25(19-10-12-22(34-2)13-11-19)17-24(28-30)21-8-5-9-23(16-21)35-3/h5,8-13,16,20,25H,4,6-7,14-15,17-18H2,1-3H3/t25-/m1/s1
InChIKeyVRYQWVVPKUQOBG-RUZDIDTESA-N
XLogP3.66
TPSA80.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-N-[2-[5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]cyclobutanecarboxamide
CID 51068011
N-(2-methoxyethyl)-N-[2-[5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]cyclopentanecarboxamide
CID 51068018
N-(2-methoxyethyl)-N-[2-[(3S)-5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]acetamide
CID 93133352
N-[2-[(3S)-3-(2-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide
CID 93133400
4-methoxy-N-(2-methoxyethyl)-N-[2-[(3S)-5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]benzamide
CID 93133360
N-[2-[5-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide
CID 51067875
N-(2-methoxyethyl)-N-[2-[(3S)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide
CID 93133701
N-(2-methoxyethyl)-N-[2-[5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 51068008
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-[(3R)-3-(4-chlorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-propan-2-ylurea
CID 93133988
N-(2-methoxyethyl)-N-[2-[(3R)-5-(3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3,3-dimethylbutanamide
CID 93133706
N-[2-[3-(4-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide
CID 91633598

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[2-[(3R)-5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]cyclobutanecarboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[2-[(3R)-5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]cyclobutanecarboxamide (CID 93133357) is N-(2-methoxyethyl)-N-[2-[(3R)-5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[2-[(3R)-5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]cyclobutanecarboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[2-[(3R)-5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]cyclobutanecarboxamide is COCCN(CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(OC)cc1)C(=O)C1CCC1.
What is the InChIKey of N-(2-methoxyethyl)-N-[2-[(3R)-5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]cyclobutanecarboxamide?
The InChIKey is VRYQWVVPKUQOBG-RUZDIDTESA-N. The full InChI is InChI=1S/C27H33N3O5/c1-33-15-14-29(27(32)20-6-4-7-20)18-26(31)30-25(19-10-12-22(34-2)13-11-19)17-24(28-30)21-8-5-9-23(16-21)35-3/h5,8-13,16,20,25H,4,6-7,14-15,17-18H2,1-3H3/t25-/m1/s1.
What are the key properties of N-(2-methoxyethyl)-N-[2-[(3R)-5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]cyclobutanecarboxamide?
N-(2-methoxyethyl)-N-[2-[(3R)-5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]cyclobutanecarboxamide has a molecular weight of 479.58 g/mol, XLogP of 3.66, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[2-[(3R)-5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]cyclobutanecarboxamide is sourced from PubChem (CID 93133357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).