(2R)-1-[2-(3,4-dimethoxyphenyl)propanoyl]-N-(1,4-diphenylpyrazol-3-yl)pyrrolidine-2-carboxamide

C31H32N4O4 — CID 68807960

IUPAC(2R)-1-[2-(3,4-dimethoxyphenyl)propanoyl]-N-(1,4-diphenylpyrazol-3-yl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(C)C(=O)N2CCC[C@@H]2C(=O)Nc2nn(-c3ccccc3)cc2-c2ccccc2)cc1OC
InChIInChI=1S/C31H32N4O4/c1-21(23-16-17-27(38-2)28(19-23)39-3)31(37)34-18-10-15-26(34)30(36)32-29-25(22-11-6-4-7-12-22)20-35(33-29)24-13-8-5-9-14-24/h4-9,11-14,16-17,19-21,26H,10,15,18H2,1-3H3,(H,32,33,36)/t21?,26-/m1/s1
InChIKeyMQVXNFVFRDVFTD-ZTDHTWSHSA-N
MW524.62 g/mol
LogP5.29
Rot. Bonds8

About (2R)-1-[2-(3,4-dimethoxyphenyl)propanoyl]-N-(1,4-diphenylpyrazol-3-yl)pyrrolidine-2-carboxamide

(2R)-1-[2-(3,4-dimethoxyphenyl)propanoyl]-N-(1,4-diphenylpyrazol-3-yl)pyrrolidine-2-carboxamide (PubChem CID 68807960) has the molecular formula C31H32N4O4 and a molecular weight of 524.62 g/mol. Its IUPAC name is (2R)-1-[2-(3,4-dimethoxyphenyl)propanoyl]-N-(1,4-diphenylpyrazol-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-(3,4-dimethoxyphenyl)propanoyl]-N-(1,4-diphenylpyrazol-3-yl)pyrrolidine-2-carboxamide
PubChem CID68807960
Molecular FormulaC31H32N4O4
Molecular Weight524.62 g/mol
Exact Mass524.24
IUPAC Name(2R)-1-[2-(3,4-dimethoxyphenyl)propanoyl]-N-(1,4-diphenylpyrazol-3-yl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(C)C(=O)N2CCC[C@@H]2C(=O)Nc2nn(-c3ccccc3)cc2-c2ccccc2)cc1OC
InChIInChI=1S/C31H32N4O4/c1-21(23-16-17-27(38-2)28(19-23)39-3)31(37)34-18-10-15-26(34)30(36)32-29-25(22-11-6-4-7-12-22)20-35(33-29)24-13-8-5-9-14-24/h4-9,11-14,16-17,19-21,26H,10,15,18H2,1-3H3,(H,32,33,36)/t21?,26-/m1/s1
InChIKeyMQVXNFVFRDVFTD-ZTDHTWSHSA-N
XLogP5.29
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.62
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 141484724
(2R)-2-[[amino-[[2-(3,4-dimethoxyphenyl)acetyl]amino]methylidene]amino]-4-methyl-N-[[3-(2-methylpyrazol-3-yl)phenyl]methyl]pentanamide
CID 90285133
(2R)-2-[[amino-[[2-(3,4-dimethoxyphenyl)acetyl]amino]methylidene]amino]-3-cyclohexyl-N-[[3-(2-methylpyrazol-3-yl)phenyl]methyl]propanamide
CID 90285285
(2R)-2-[[amino-[[2-(3,4-dimethoxyphenyl)acetyl]amino]methylidene]amino]-3-cyclohexyl-N-[[3-(1-methylpyrazol-3-yl)phenyl]methyl]propanamide
CID 90285378
(2R)-2-[[amino-[[2-(3,4-dimethoxyphenyl)acetyl]amino]methylidene]amino]-N-[[3-(2-methylpyrazol-3-yl)phenyl]methyl]-3-phenylpropanamide
CID 90285463
(2R)-2-[[amino-[[2-(3,4-dimethoxyphenyl)acetyl]amino]methylidene]amino]-N-[[3-(1-methylpyrazol-3-yl)phenyl]methyl]-3-phenylpropanamide
CID 90285809
(2R)-2-[[amino-[[2-(3,4-dimethoxyphenyl)acetyl]amino]methylidene]amino]-4-methyl-N-[[3-(1-methylpyrazol-3-yl)phenyl]methyl]pentanamide
CID 90286425
2-(3-methoxyphenyl)-N-[1-(4-methoxyphenyl)pyrazol-3-yl]acetamide
CID 46171829
1-(6-(1H-pyrazol-1-yl)pyridazin-3-yl)-N-(3,4-dimethoxyphenethyl)piperidine-3-carboxamide
CID 52992968
2-(3,4-dimethoxyphenyl)-N-(3-methyl-1-(4-oxo-1-(m-tolyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-1H-pyrazol-5-yl)acetamide
CID 135880894
2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 30833766
2-(1,3-benzodioxol-5-yl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674023

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(3,4-dimethoxyphenyl)propanoyl]-N-(1,4-diphenylpyrazol-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[2-(3,4-dimethoxyphenyl)propanoyl]-N-(1,4-diphenylpyrazol-3-yl)pyrrolidine-2-carboxamide (CID 68807960) is (2R)-1-[2-(3,4-dimethoxyphenyl)propanoyl]-N-(1,4-diphenylpyrazol-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-(3,4-dimethoxyphenyl)propanoyl]-N-(1,4-diphenylpyrazol-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-(3,4-dimethoxyphenyl)propanoyl]-N-(1,4-diphenylpyrazol-3-yl)pyrrolidine-2-carboxamide is COc1ccc(C(C)C(=O)N2CCC[C@@H]2C(=O)Nc2nn(-c3ccccc3)cc2-c2ccccc2)cc1OC.
What is the InChIKey of (2R)-1-[2-(3,4-dimethoxyphenyl)propanoyl]-N-(1,4-diphenylpyrazol-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is MQVXNFVFRDVFTD-ZTDHTWSHSA-N. The full InChI is InChI=1S/C31H32N4O4/c1-21(23-16-17-27(38-2)28(19-23)39-3)31(37)34-18-10-15-26(34)30(36)32-29-25(22-11-6-4-7-12-22)20-35(33-29)24-13-8-5-9-14-24/h4-9,11-14,16-17,19-21,26H,10,15,18H2,1-3H3,(H,32,33,36)/t21?,26-/m1/s1.
What are the key properties of (2R)-1-[2-(3,4-dimethoxyphenyl)propanoyl]-N-(1,4-diphenylpyrazol-3-yl)pyrrolidine-2-carboxamide?
(2R)-1-[2-(3,4-dimethoxyphenyl)propanoyl]-N-(1,4-diphenylpyrazol-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 524.62 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(3,4-dimethoxyphenyl)propanoyl]-N-(1,4-diphenylpyrazol-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 68807960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).