N-(3,3-difluorocyclobutyl)-5-(2-methoxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide

C14H18F2N4O3 — CID 131693183

IUPACN-(3,3-difluorocyclobutyl)-5-(2-methoxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESCOCC(=O)N1Cc2ccnn2C(C(=O)NC2CC(F)(F)C2)C1
InChIInChI=1S/C14H18F2N4O3/c1-23-8-12(21)19-6-10-2-3-17-20(10)11(7-19)13(22)18-9-4-14(15,16)5-9/h2-3,9,11H,4-8H2,1H3,(H,18,22)
InChIKeyUOCMABWKNFSHCI-UHFFFAOYSA-N
MW328.32 g/mol
LogP0.33
Rot. Bonds4

About N-(3,3-difluorocyclobutyl)-5-(2-methoxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide

N-(3,3-difluorocyclobutyl)-5-(2-methoxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (PubChem CID 131693183) has the molecular formula C14H18F2N4O3 and a molecular weight of 328.32 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-5-(2-methoxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-5-(2-methoxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
PubChem CID131693183
Molecular FormulaC14H18F2N4O3
Molecular Weight328.32 g/mol
Exact Mass328.13
IUPAC NameN-(3,3-difluorocyclobutyl)-5-(2-methoxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESCOCC(=O)N1Cc2ccnn2C(C(=O)NC2CC(F)(F)C2)C1
InChIInChI=1S/C14H18F2N4O3/c1-23-8-12(21)19-6-10-2-3-17-20(10)11(7-19)13(22)18-9-4-14(15,16)5-9/h2-3,9,11H,4-8H2,1H3,(H,18,22)
InChIKeyUOCMABWKNFSHCI-UHFFFAOYSA-N
XLogP0.33
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-difluorocyclobutyl)-5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 133136590
5-butanoyl-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693163
(7R)-5-(2-cyclopentylacetyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 124800007
N-cyclobutyl-5-[(2-methoxy-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131655766
N-cyclopentyl-5-(3-methylfuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693042
N-cyclopropyl-5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693071
N-cyclopropyl-5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131648072
N-(3,3-difluorocyclobutyl)-2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 131646485
N,N-dimethyl-5-(4-methylpentanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693015
(3,3-difluoroazetidin-1-yl)-[5-[(2-methoxy-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methanone
CID 133140973
N-cyclopropyl-5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155863814
(7S)-5-[(2-methoxyphenyl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 124809749

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-5-(2-methoxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-5-(2-methoxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (CID 131693183) is N-(3,3-difluorocyclobutyl)-5-(2-methoxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-5-(2-methoxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-5-(2-methoxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is COCC(=O)N1Cc2ccnn2C(C(=O)NC2CC(F)(F)C2)C1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-5-(2-methoxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is UOCMABWKNFSHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O3/c1-23-8-12(21)19-6-10-2-3-17-20(10)11(7-19)13(22)18-9-4-14(15,16)5-9/h2-3,9,11H,4-8H2,1H3,(H,18,22).
What are the key properties of N-(3,3-difluorocyclobutyl)-5-(2-methoxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
N-(3,3-difluorocyclobutyl)-5-(2-methoxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-5-(2-methoxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 131693183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).