1-[2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propylurea

C23H28N4O3 — CID 93131751

IUPAC1-[2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propylurea
SMILESCCCNC(=O)N(C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C23H28N4O3/c1-4-14-24-23(29)26(2)16-22(28)27-21(18-8-6-5-7-9-18)15-20(25-27)17-10-12-19(30-3)13-11-17/h5-13,21H,4,14-16H2,1-3H3,(H,24,29)/t21-/m1/s1
InChIKeyOLSRKRWHQBBELS-OAQYLSRUSA-N
MW408.50 g/mol
LogP3.42
Rot. Bonds7

About 1-[2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propylurea

1-[2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propylurea (PubChem CID 93131751) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-[2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propylurea.

Molecular Properties

Compound Name1-[2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propylurea
PubChem CID93131751
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-[2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propylurea
SMILESCCCNC(=O)N(C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C23H28N4O3/c1-4-14-24-23(29)26(2)16-22(28)27-21(18-8-6-5-7-9-18)15-20(25-27)17-10-12-19(30-3)13-11-17/h5-13,21H,4,14-16H2,1-3H3,(H,24,29)/t21-/m1/s1
InChIKeyOLSRKRWHQBBELS-OAQYLSRUSA-N
XLogP3.42
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3S)-5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propylurea
CID 93131504
1-[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-(N-methylanilino)ethanone
CID 42844639
1-[2-[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-tert-butyl-1-methylurea
CID 93132491
N-[2-[(3S)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 93132314
1-[2-[(3S)-3-(2-methoxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propylurea
CID 93134047
1-[2-[(3S)-5-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propylurea
CID 93132530
1-[2-[(3S)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propan-2-ylurea
CID 93132514
N-[2-[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 93132301
1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 2960227
1-[2-[(3S)-5-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propylurea
CID 93134021
N-[2-[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methylcyclobutanecarboxamide
CID 93132305
1-[2-[3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-propylurea
CID 51067751

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propylurea?
The IUPAC name of 1-[2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propylurea (CID 93131751) is 1-[2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propylurea.
What is the SMILES notation for 1-[2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propylurea?
The canonical SMILES for 1-[2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propylurea is CCCNC(=O)N(C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1.
What is the InChIKey of 1-[2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propylurea?
The InChIKey is OLSRKRWHQBBELS-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-4-14-24-23(29)26(2)16-22(28)27-21(18-8-6-5-7-9-18)15-20(25-27)17-10-12-19(30-3)13-11-17/h5-13,21H,4,14-16H2,1-3H3,(H,24,29)/t21-/m1/s1.
What are the key properties of 1-[2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propylurea?
1-[2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propylurea has a molecular weight of 408.50 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propylurea is sourced from PubChem (CID 93131751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).