N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide

C11H11ClF2N4O — CID 107491354

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(c1cnn2ccncc12)N(CCCl)CC(F)F
InChIInChI=1S/C11H11ClF2N4O/c12-1-3-17(7-10(13)14)11(19)8-5-16-18-4-2-15-6-9(8)18/h2,4-6,10H,1,3,7H2
InChIKeyMGGCRASRPATALT-UHFFFAOYSA-N
MW288.69 g/mol
LogP1.68
Rot. Bonds5

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide

N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 107491354) has the molecular formula C11H11ClF2N4O and a molecular weight of 288.69 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID107491354
Molecular FormulaC11H11ClF2N4O
Molecular Weight288.69 g/mol
Exact Mass288.06
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(c1cnn2ccncc12)N(CCCl)CC(F)F
InChIInChI=1S/C11H11ClF2N4O/c12-1-3-17(7-10(13)14)11(19)8-5-16-18-4-2-15-6-9(8)18/h2,4-6,10H,1,3,7H2
InChIKeyMGGCRASRPATALT-UHFFFAOYSA-N
XLogP1.68
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloropropyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122348
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 107483137
3-[ethyl(pyrazolo[1,5-a]pyrazine-3-carbonyl)amino]propanoic acid
CID 103116597
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
N-(4-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106845452
N-(3-amino-2-methylpropyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103115831
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylpyrazole-3-carboxamide
CID 107491265
pyrazolo[1,5-a]pyrazin-3-yl(pyrrolidin-1-yl)methanone
CID 103120002
N-(2-amino-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103123058
2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124629
N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122603
1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one
CID 103123927

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 107491354) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is O=C(c1cnn2ccncc12)N(CCCl)CC(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is MGGCRASRPATALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N4O/c12-1-3-17(7-10(13)14)11(19)8-5-16-18-4-2-15-6-9(8)18/h2,4-6,10H,1,3,7H2.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 288.69 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 107491354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).