N-[2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide

C23H25N5O2 — CID 55972966

IUPACN-[2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3NC(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C23H25N5O2/c1-16-15-17(2)28(26-16)19-11-9-18(10-12-19)22(29)24-20-7-3-4-8-21(20)25-23(30)27-13-5-6-14-27/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyQYJFBLLBOVZOQT-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.37
Rot. Bonds4

About N-[2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide

N-[2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide (PubChem CID 55972966) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
PubChem CID55972966
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3NC(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C23H25N5O2/c1-16-15-17(2)28(26-16)19-11-9-18(10-12-19)22(29)24-20-7-3-4-8-21(20)25-23(30)27-13-5-6-14-27/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyQYJFBLLBOVZOQT-UHFFFAOYSA-N
XLogP4.37
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.37
H-Bond Donors ≤ 52
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
4-(3,5-dimethylpyrazol-1-yl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55715651
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201
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
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 43073960
N-(2-aminophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide;4-(3,5-dimethylpyrazol-1-yl)benzoic acid;4-hydrazinylbenzoic acid
CID 162052991
4-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]benzamide
CID 75447935
4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide
CID 2353958
N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 155919513
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4862154

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide (CID 55972966) is N-[2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3NC(=O)N3CCCC3)cc2)n1.
What is the InChIKey of N-[2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is QYJFBLLBOVZOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-16-15-17(2)28(26-16)19-11-9-18(10-12-19)22(29)24-20-7-3-4-8-21(20)25-23(30)27-13-5-6-14-27/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,24,29)(H,25,30).
What are the key properties of N-[2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide?
N-[2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 55972966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).