2-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C17H19ClFN5O2 — CID 72937666

IUPAC2-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCN(C)C(=O)N1CCn2nc(CNC(=O)c3ccc(Cl)cc3F)cc2C1
InChIInChI=1S/C17H19ClFN5O2/c1-22(2)17(26)23-5-6-24-13(10-23)8-12(21-24)9-20-16(25)14-4-3-11(18)7-15(14)19/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,20,25)
InChIKeyZVQREIYRCHUHEU-UHFFFAOYSA-N
MW379.82 g/mol
LogP2.10
Rot. Bonds3

About 2-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

2-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 72937666) has the molecular formula C17H19ClFN5O2 and a molecular weight of 379.82 g/mol. Its IUPAC name is 2-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name2-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID72937666
Molecular FormulaC17H19ClFN5O2
Molecular Weight379.82 g/mol
Exact Mass379.12
IUPAC Name2-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCN(C)C(=O)N1CCn2nc(CNC(=O)c3ccc(Cl)cc3F)cc2C1
InChIInChI=1S/C17H19ClFN5O2/c1-22(2)17(26)23-5-6-24-13(10-23)8-12(21-24)9-20-16(25)14-4-3-11(18)7-15(14)19/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,20,25)
InChIKeyZVQREIYRCHUHEU-UHFFFAOYSA-N
XLogP2.10
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-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-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 72864338
2-[[(2,3-difluorobenzoyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 72881230
2-[[(4-tert-butylbenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 72919346
2-[[[2-(4-chloropyrazol-1-yl)acetyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70744255
2-[[(4-ethoxybenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70713260
N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide
CID 70766230
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
N,N-dimethyl-2-[(3-methylsulfanylpropanoylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70780461
N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]quinoline-6-carboxamide
CID 72888278
2-[(hex-3-enoylamino)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 91940678
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-(methylamino)-2-phenylacetyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70726819

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 2-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 72937666) is 2-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 2-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 2-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CN(C)C(=O)N1CCn2nc(CNC(=O)c3ccc(Cl)cc3F)cc2C1.
What is the InChIKey of 2-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is ZVQREIYRCHUHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN5O2/c1-22(2)17(26)23-5-6-24-13(10-23)8-12(21-24)9-20-16(25)14-4-3-11(18)7-15(14)19/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,20,25).
What are the key properties of 2-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
2-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 379.82 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 72937666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).