2-[[(2,3-difluorobenzoyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide

C18H21F2N5O2 — CID 72881230

IUPAC2-[[(2,3-difluorobenzoyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
SMILESCN(C)C(=O)N1CCCn2nc(CNC(=O)c3cccc(F)c3F)cc2C1
InChIInChI=1S/C18H21F2N5O2/c1-23(2)18(27)24-7-4-8-25-13(11-24)9-12(22-25)10-21-17(26)14-5-3-6-15(19)16(14)20/h3,5-6,9H,4,7-8,10-11H2,1-2H3,(H,21,26)
InChIKeyNNJLGWPLZNLVQY-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.98
Rot. Bonds3

About 2-[[(2,3-difluorobenzoyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide

2-[[(2,3-difluorobenzoyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide (PubChem CID 72881230) has the molecular formula C18H21F2N5O2 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-[[(2,3-difluorobenzoyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide.

Molecular Properties

Compound Name2-[[(2,3-difluorobenzoyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
PubChem CID72881230
Molecular FormulaC18H21F2N5O2
Molecular Weight377.40 g/mol
Exact Mass377.17
IUPAC Name2-[[(2,3-difluorobenzoyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
SMILESCN(C)C(=O)N1CCCn2nc(CNC(=O)c3cccc(F)c3F)cc2C1
InChIInChI=1S/C18H21F2N5O2/c1-23(2)18(27)24-7-4-8-25-13(11-24)9-12(22-25)10-21-17(26)14-5-3-6-15(19)16(14)20/h3,5-6,9H,4,7-8,10-11H2,1-2H3,(H,21,26)
InChIKeyNNJLGWPLZNLVQY-UHFFFAOYSA-N
XLogP1.98
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(2,3-difluorobenzoyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-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

2-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 72937666
2-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70752023
2-[(furan-3-carbonylamino)methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 72929044
N,N-dimethyl-2-[[[2-(3-methylphenyl)acetyl]amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70758361
N,N-dimethyl-2-[[(2-methylsulfanylacetyl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70740006
2-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 72864338
N,N-dimethyl-2-[(pyrimidin-2-ylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70729401
N,N-dimethyl-2-[[(2-phenoxyacetyl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70759731
2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide;hydrochloride
CID 154896206
2-[[(6-cyanopyridine-3-carbonyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70715725
N,N-dimethyl-2-[(3-pyridin-3-ylpropanoylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70786539
2-[[(4-tert-butylbenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 72919346

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,3-difluorobenzoyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
The IUPAC name of 2-[[(2,3-difluorobenzoyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide (CID 72881230) is 2-[[(2,3-difluorobenzoyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide.
What is the SMILES notation for 2-[[(2,3-difluorobenzoyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
The canonical SMILES for 2-[[(2,3-difluorobenzoyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide is CN(C)C(=O)N1CCCn2nc(CNC(=O)c3cccc(F)c3F)cc2C1.
What is the InChIKey of 2-[[(2,3-difluorobenzoyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
The InChIKey is NNJLGWPLZNLVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O2/c1-23(2)18(27)24-7-4-8-25-13(11-24)9-12(22-25)10-21-17(26)14-5-3-6-15(19)16(14)20/h3,5-6,9H,4,7-8,10-11H2,1-2H3,(H,21,26).
What are the key properties of 2-[[(2,3-difluorobenzoyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
2-[[(2,3-difluorobenzoyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,3-difluorobenzoyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide is sourced from PubChem (CID 72881230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).