N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide

C23H26N4O2 — CID 167854067

IUPACN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1cc(-c2ccccc2)n[nH]1)N1CCCC1
InChIInChI=1S/C23H26N4O2/c1-29-22-12-6-5-11-18(22)21(27-13-7-8-14-27)16-24-23(28)20-15-19(25-26-20)17-9-3-2-4-10-17/h2-6,9-12,15,21H,7-8,13-14,16H2,1H3,(H,24,28)(H,25,26)
InChIKeyWTQREXPIYBYAAJ-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.65
Rot. Bonds7

About N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 167854067) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID167854067
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1cc(-c2ccccc2)n[nH]1)N1CCCC1
InChIInChI=1S/C23H26N4O2/c1-29-22-12-6-5-11-18(22)21(27-13-7-8-14-27)16-24-23(28)20-15-19(25-26-20)17-9-3-2-4-10-17/h2-6,9-12,15,21H,7-8,13-14,16H2,1H3,(H,24,28)(H,25,26)
InChIKeyWTQREXPIYBYAAJ-UHFFFAOYSA-N
XLogP3.65
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 167898904
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 41037776
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
CID 51109530
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
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 167983894
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
2-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methylbenzamide
CID 55887390
2,4-dimethoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006298
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60533854
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829216
3-cyclopropyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-5-carboxamide
CID 43019758

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 167854067) is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide is COc1ccccc1C(CNC(=O)c1cc(-c2ccccc2)n[nH]1)N1CCCC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is WTQREXPIYBYAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-29-22-12-6-5-11-18(22)21(27-13-7-8-14-27)16-24-23(28)20-15-19(25-26-20)17-9-3-2-4-10-17/h2-6,9-12,15,21H,7-8,13-14,16H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 167854067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).