N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C22H22N4O2 — CID 43073960

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)c2ccc(N3CCCC3=O)cc2)n1
InChIInChI=1S/C22H22N4O2/c1-15-14-16(2)26(24-15)20-7-4-3-6-19(20)23-22(28)17-9-11-18(12-10-17)25-13-5-8-21(25)27/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,23,28)
InChIKeyIKUQFIPEXXNIPJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.87
Rot. Bonds4

About N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 43073960) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID43073960
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)c2ccc(N3CCCC3=O)cc2)n1
InChIInChI=1S/C22H22N4O2/c1-15-14-16(2)26(24-15)20-7-4-3-6-19(20)23-22(28)17-9-11-18(12-10-17)25-13-5-8-21(25)27/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,23,28)
InChIKeyIKUQFIPEXXNIPJ-UHFFFAOYSA-N
XLogP3.87
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide
CID 38760630
N-(2-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 7750845
N-[2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55972966
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201
4-(2-oxopyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 93174619
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(2-oxopiperidin-1-yl)benzamide
CID 55480744
N-[2-(4-methylphenoxy)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24681364
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905415
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 38760833
N-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 7760528
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 55635677

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 43073960) is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide is Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(N3CCCC3=O)cc2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is IKUQFIPEXXNIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-14-16(2)26(24-15)20-7-4-3-6-19(20)23-22(28)17-9-11-18(12-10-17)25-13-5-8-21(25)27/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,23,28).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 374.44 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 43073960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).