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

C16H19F2N5OS — CID 133140780

IUPACN-(3,3-difluorocyclobutyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESCc1ncsc1CN1Cc2ccnn2C(C(=O)NC2CC(F)(F)C2)C1
InChIInChI=1S/C16H19F2N5OS/c1-10-14(25-9-19-10)8-22-6-12-2-3-20-23(12)13(7-22)15(24)21-11-4-16(17,18)5-11/h2-3,9,11,13H,4-8H2,1H3,(H,21,24)
InChIKeyAQEZZTYFDXFVPS-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.12
Rot. Bonds4

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

N-(3,3-difluorocyclobutyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (PubChem CID 133140780) has the molecular formula C16H19F2N5OS and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
PubChem CID133140780
Molecular FormulaC16H19F2N5OS
Molecular Weight367.43 g/mol
Exact Mass367.13
IUPAC NameN-(3,3-difluorocyclobutyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESCc1ncsc1CN1Cc2ccnn2C(C(=O)NC2CC(F)(F)C2)C1
InChIInChI=1S/C16H19F2N5OS/c1-10-14(25-9-19-10)8-22-6-12-2-3-20-23(12)13(7-22)15(24)21-11-4-16(17,18)5-11/h2-3,9,11,13H,4-8H2,1H3,(H,21,24)
InChIKeyAQEZZTYFDXFVPS-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-[(4-methyl-1,3-thiazol-5-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-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (CID 133140780) is N-(3,3-difluorocyclobutyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is Cc1ncsc1CN1Cc2ccnn2C(C(=O)NC2CC(F)(F)C2)C1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is AQEZZTYFDXFVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5OS/c1-10-14(25-9-19-10)8-22-6-12-2-3-20-23(12)13(7-22)15(24)21-11-4-16(17,18)5-11/h2-3,9,11,13H,4-8H2,1H3,(H,21,24).
What are the key properties of N-(3,3-difluorocyclobutyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
N-(3,3-difluorocyclobutyl)-5-[(4-methyl-1,3-thiazol-5-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-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 133140780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).