N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-1-methylpyrazole-3-carboxamide

C22H25FN4O2 — CID 44632734

IUPACN-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC23CC4CC(CC(NC(=O)c5cccc(F)c5)(C4)C2)C3)n1
InChIInChI=1S/C22H25FN4O2/c1-27-6-5-18(26-27)20(29)25-22-11-14-7-15(12-22)10-21(9-14,13-22)24-19(28)16-3-2-4-17(23)8-16/h2-6,8,14-15H,7,9-13H2,1H3,(H,24,28)(H,25,29)
InChIKeyWAGMXEDSTVTMDW-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.81
Rot. Bonds4

About N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-1-methylpyrazole-3-carboxamide

N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-1-methylpyrazole-3-carboxamide (PubChem CID 44632734) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-1-methylpyrazole-3-carboxamide
PubChem CID44632734
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC NameN-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC23CC4CC(CC(NC(=O)c5cccc(F)c5)(C4)C2)C3)n1
InChIInChI=1S/C22H25FN4O2/c1-27-6-5-18(26-27)20(29)25-22-11-14-7-15(12-22)10-21(9-14,13-22)24-19(28)16-3-2-4-17(23)8-16/h2-6,8,14-15H,7,9-13H2,1H3,(H,24,28)(H,25,29)
InChIKeyWAGMXEDSTVTMDW-UHFFFAOYSA-N
XLogP2.81
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-1-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Apinaca
CID 57404063
5-Fluoro-apinaca
CID 71711119
1-benzoyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 716930
Fub-apinaca
CID 118796517
N-[(E)-1-[4-[(3-fluorobenzoyl)amino]phenyl]ethylideneamino]-1-methylpyrazole-3-carboxamide
CID 7695693
4F-Abinaca
CID 118796478
Ab-chfupyca
CID 122213879
CID 155557232
CID 155557232
1-(4-Fluorophenyl)-2-[4-(1-methyl-1H-pyrazole-3-carbonyl)-piperazin-1-yl]ethanone
CID 24811854
N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)benzamide
CID 118408862
N-[2-(3-phenylpyrazol-1-yl)ethyl]benzamide
CID 118524377
Cxd-101
CID 16225380

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-1-methylpyrazole-3-carboxamide (CID 44632734) is N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NC23CC4CC(CC(NC(=O)c5cccc(F)c5)(C4)C2)C3)n1.
What is the InChIKey of N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is WAGMXEDSTVTMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-27-6-5-18(26-27)20(29)25-22-11-14-7-15(12-22)10-21(9-14,13-22)24-19(28)16-3-2-4-17(23)8-16/h2-6,8,14-15H,7,9-13H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-1-methylpyrazole-3-carboxamide?
N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 44632734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).