N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide

C27H34N4O2 — CID 55628686

IUPACN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1cnn(-c2ccc(C)cc2)c1C(C)C)N1CCCC1
InChIInChI=1S/C27H34N4O2/c1-19(2)26-23(17-29-31(26)21-13-11-20(3)12-14-21)27(32)28-18-24(30-15-7-8-16-30)22-9-5-6-10-25(22)33-4/h5-6,9-14,17,19,24H,7-8,15-16,18H2,1-4H3,(H,28,32)
InChIKeyUWXUJLLCJTYIHG-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.88
Rot. Bonds8

About N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 55628686) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID55628686
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1cnn(-c2ccc(C)cc2)c1C(C)C)N1CCCC1
InChIInChI=1S/C27H34N4O2/c1-19(2)26-23(17-29-31(26)21-13-11-20(3)12-14-21)27(32)28-18-24(30-15-7-8-16-30)22-9-5-6-10-25(22)33-4/h5-6,9-14,17,19,24H,7-8,15-16,18H2,1-4H3,(H,28,32)
InChIKeyUWXUJLLCJTYIHG-UHFFFAOYSA-N
XLogP4.88
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methylbenzamide
CID 55887390
2-iodo-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 31307195
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,4,6-trimethylbenzamide
CID 112810457
2-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide;dihydrochloride
CID 119946536
2,4-dimethoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006298
2-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 120669331
3-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide
CID 42887024
5-chloro-1-(4-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methylpyrazole-4-carboxamide
CID 51966505
5-fluoro-2-hydroxy-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 95787960
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
N-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55638310
methyl 2-methoxy-5-[[[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]methyl]benzoate
CID 55605737

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 55628686) is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide is COc1ccccc1C(CNC(=O)c1cnn(-c2ccc(C)cc2)c1C(C)C)N1CCCC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is UWXUJLLCJTYIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-19(2)26-23(17-29-31(26)21-13-11-20(3)12-14-21)27(32)28-18-24(30-15-7-8-16-30)22-9-5-6-10-25(22)33-4/h5-6,9-14,17,19,24H,7-8,15-16,18H2,1-4H3,(H,28,32).
What are the key properties of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55628686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).