N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide

C23H26N4O2 — CID 78803328

IUPACN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide
SMILESCOc1cccc(C(CNC(=O)c2ccc(-n3cccn3)cc2)N2CCCC2)c1
InChIInChI=1S/C23H26N4O2/c1-29-21-7-4-6-19(16-21)22(26-13-2-3-14-26)17-24-23(28)18-8-10-20(11-9-18)27-15-5-12-25-27/h4-12,15-16,22H,2-3,13-14,17H2,1H3,(H,24,28)
InChIKeyRHOQKNGPVDXJIB-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.45
Rot. Bonds7

About N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide

N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide (PubChem CID 78803328) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide
PubChem CID78803328
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide
SMILESCOc1cccc(C(CNC(=O)c2ccc(-n3cccn3)cc2)N2CCCC2)c1
InChIInChI=1S/C23H26N4O2/c1-29-21-7-4-6-19(16-21)22(26-13-2-3-14-26)17-24-23(28)18-8-10-20(11-9-18)27-15-5-12-25-27/h4-12,15-16,22H,2-3,13-14,17H2,1H3,(H,24,28)
InChIKeyRHOQKNGPVDXJIB-UHFFFAOYSA-N
XLogP3.45
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 111115502
4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005778
4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005704
3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005771
(2R)-N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-pyrazol-1-ylpropanamide
CID 94036059
3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005762
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
ethyl N-[4-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]carbamate
CID 46446884
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46437989
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 112506809
4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563
2,6-dimethoxy-N-[2-(3-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 112506691

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide (CID 78803328) is N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide is COc1cccc(C(CNC(=O)c2ccc(-n3cccn3)cc2)N2CCCC2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide?
The InChIKey is RHOQKNGPVDXJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-29-21-7-4-6-19(16-21)22(26-13-2-3-14-26)17-24-23(28)18-8-10-20(11-9-18)27-15-5-12-25-27/h4-12,15-16,22H,2-3,13-14,17H2,1H3,(H,24,28).
What are the key properties of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide?
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide has a molecular weight of 390.49 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 78803328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).