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

C24H26N4O2 — CID 55715651

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3cccc(C)c3C(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C24H26N4O2/c1-16-7-6-8-21(22(16)24(30)27-13-4-5-14-27)25-23(29)19-9-11-20(12-10-19)28-18(3)15-17(2)26-28/h6-12,15H,4-5,13-14H2,1-3H3,(H,25,29)
InChIKeyNXWUMANHZDBNEY-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.29
Rot. Bonds4

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

4-(3,5-dimethylpyrazol-1-yl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 55715651) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID55715651
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3cccc(C)c3C(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C24H26N4O2/c1-16-7-6-8-21(22(16)24(30)27-13-4-5-14-27)25-23(29)19-9-11-20(12-10-19)28-18(3)15-17(2)26-28/h6-12,15H,4-5,13-14H2,1-3H3,(H,25,29)
InChIKeyNXWUMANHZDBNEY-UHFFFAOYSA-N
XLogP4.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905415
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-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119715803
methyl 3-[3,5-dimethyl-1-[4-[[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]pyrazol-4-yl]propanoate
CID 55776539
5,6-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 55776635
3-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 119715820
4-(methoxymethyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 47035979
4-(3,5-dimethylpyrazol-1-yl)-N-(2-propan-2-ylphenyl)benzamide
CID 9110177
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 47829643
2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55715681
[4-[[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate
CID 55776473

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 55715651) is 4-(3,5-dimethylpyrazol-1-yl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(C)c3C(=O)N3CCCC3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is NXWUMANHZDBNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16-7-6-8-21(22(16)24(30)27-13-4-5-14-27)25-23(29)19-9-11-20(12-10-19)28-18(3)15-17(2)26-28/h6-12,15H,4-5,13-14H2,1-3H3,(H,25,29).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 402.50 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 55715651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).