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

C16H19F2N5OS — CID 131661614

IUPACN-(3,3-difluorocyclobutyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESCc1nc(CN2Cc3ccnn3C(C(=O)NC3CC(F)(F)C3)C2)cs1
InChIInChI=1S/C16H19F2N5OS/c1-10-20-12(9-25-10)6-22-7-13-2-3-19-23(13)14(8-22)15(24)21-11-4-16(17,18)5-11/h2-3,9,11,14H,4-8H2,1H3,(H,21,24)
InChIKeyAFJKRKGNZSCEFJ-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.12
Rot. Bonds4

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

N-(3,3-difluorocyclobutyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (PubChem CID 131661614) has the molecular formula C16H19F2N5OS and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
PubChem CID131661614
Molecular FormulaC16H19F2N5OS
Molecular Weight367.43 g/mol
Exact Mass367.13
IUPAC NameN-(3,3-difluorocyclobutyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESCc1nc(CN2Cc3ccnn3C(C(=O)NC3CC(F)(F)C3)C2)cs1
InChIInChI=1S/C16H19F2N5OS/c1-10-20-12(9-25-10)6-22-7-13-2-3-19-23(13)14(8-22)15(24)21-11-4-16(17,18)5-11/h2-3,9,11,14H,4-8H2,1H3,(H,21,24)
InChIKeyAFJKRKGNZSCEFJ-UHFFFAOYSA-N
XLogP2.12
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,3-difluorocyclobutyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (CID 131661614) is N-(3,3-difluorocyclobutyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is Cc1nc(CN2Cc3ccnn3C(C(=O)NC3CC(F)(F)C3)C2)cs1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is AFJKRKGNZSCEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5OS/c1-10-20-12(9-25-10)6-22-7-13-2-3-19-23(13)14(8-22)15(24)21-11-4-16(17,18)5-11/h2-3,9,11,14H,4-8H2,1H3,(H,21,24).
What are the key properties of N-(3,3-difluorocyclobutyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
N-(3,3-difluorocyclobutyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 131661614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).