N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-pyrazol-1-ylbenzamide

C22H22N4O3 — CID 86863573

IUPACN-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-pyrazol-1-ylbenzamide
SMILESCOc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1ccccc1-n1cccn1
InChIInChI=1S/C22H22N4O3/c1-29-20-10-9-16(22(28)25-12-4-5-13-25)15-18(20)24-21(27)17-7-2-3-8-19(17)26-14-6-11-23-26/h2-3,6-11,14-15H,4-5,12-13H2,1H3,(H,24,27)
InChIKeyNGBWIGRVCCZRHE-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.37
Rot. Bonds5

About N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-pyrazol-1-ylbenzamide

N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-pyrazol-1-ylbenzamide (PubChem CID 86863573) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-pyrazol-1-ylbenzamide
PubChem CID86863573
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-pyrazol-1-ylbenzamide
SMILESCOc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1ccccc1-n1cccn1
InChIInChI=1S/C22H22N4O3/c1-29-20-10-9-16(22(28)25-12-4-5-13-25)15-18(20)24-21(27)17-7-2-3-8-19(17)26-14-6-11-23-26/h2-3,6-11,14-15H,4-5,12-13H2,1H3,(H,24,27)
InChIKeyNGBWIGRVCCZRHE-UHFFFAOYSA-N
XLogP3.37
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3,4-dimethoxy-5-[(2-pyrazol-1-ylbenzoyl)amino]benzamide
CID 176501109
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966
N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylbenzamide
CID 50875897
methyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate
CID 86991803
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119307348
3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide
CID 109056708
4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 71926356
4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119307355
2-methoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168435
1-(3,5-dimethoxybenzoyl)-N-(2-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 47045213
2-[[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119182807
N-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081308

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-pyrazol-1-ylbenzamide?
The IUPAC name of N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-pyrazol-1-ylbenzamide (CID 86863573) is N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-pyrazol-1-ylbenzamide is COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1ccccc1-n1cccn1.
What is the InChIKey of N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-pyrazol-1-ylbenzamide?
The InChIKey is NGBWIGRVCCZRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-29-20-10-9-16(22(28)25-12-4-5-13-25)15-18(20)24-21(27)17-7-2-3-8-19(17)26-14-6-11-23-26/h2-3,6-11,14-15H,4-5,12-13H2,1H3,(H,24,27).
What are the key properties of N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-pyrazol-1-ylbenzamide?
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-pyrazol-1-ylbenzamide has a molecular weight of 390.44 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-pyrazol-1-ylbenzamide is sourced from PubChem (CID 86863573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).