N-(2-amino-2-methylpropyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide

C16H21FN4O — CID 119630697

IUPACN-(2-amino-2-methylpropyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCC(C)(C)N)cc2F)n1
InChIInChI=1S/C16H21FN4O/c1-10-7-11(2)21(20-10)14-6-5-12(8-13(14)17)15(22)19-9-16(3,4)18/h5-8H,9,18H2,1-4H3,(H,19,22)
InChIKeyYTGPDMSBGMDIFP-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.10
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide

N-(2-amino-2-methylpropyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide (PubChem CID 119630697) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide
PubChem CID119630697
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC NameN-(2-amino-2-methylpropyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCC(C)(C)N)cc2F)n1
InChIInChI=1S/C16H21FN4O/c1-10-7-11(2)21(20-10)14-6-5-12(8-13(14)17)15(22)19-9-16(3,4)18/h5-8H,9,18H2,1-4H3,(H,19,22)
InChIKeyYTGPDMSBGMDIFP-UHFFFAOYSA-N
XLogP2.10
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-methylpropyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide 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

3-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249379
N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide
CID 119499692
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride
CID 119600348
4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
CID 99122333
3-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]-ethylamino]propanoic acid
CID 119191017
2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]-4-methylpentanoic acid
CID 119188115
4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[(3R)-1-hydroxy-4-methylpentan-3-yl]benzamide
CID 96540104
2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]acetic acid
CID 119213295
N-[2-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoroanilino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 55949657
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride
CID 119459600
4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide
CID 43658360
methyl 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]pyridine-4-carboxylate
CID 99134469

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide (CID 119630697) is N-(2-amino-2-methylpropyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide is Cc1cc(C)n(-c2ccc(C(=O)NCC(C)(C)N)cc2F)n1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide?
The InChIKey is YTGPDMSBGMDIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-10-7-11(2)21(20-10)14-6-5-12(8-13(14)17)15(22)19-9-16(3,4)18/h5-8H,9,18H2,1-4H3,(H,19,22).
What are the key properties of N-(2-amino-2-methylpropyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide?
N-(2-amino-2-methylpropyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide has a molecular weight of 304.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide is sourced from PubChem (CID 119630697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).