N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-[(2-fluorophenyl)methyl]-3-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C18H15F3N6O2S — CID 169208870

IUPACN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-[(2-fluorophenyl)methyl]-3-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1c(C(=O)Nc2nnc(C(F)F)s2)nn2c1C(=O)N(Cc1ccccc1F)CC2
InChIInChI=1S/C18H15F3N6O2S/c1-9-12(15(28)22-18-24-23-16(30-18)14(20)21)25-27-7-6-26(17(29)13(9)27)8-10-4-2-3-5-11(10)19/h2-5,14H,6-8H2,1H3,(H,22,24,28)
InChIKeyDCHYFLMJKNFQLY-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.03
Rot. Bonds5

About N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-[(2-fluorophenyl)methyl]-3-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-[(2-fluorophenyl)methyl]-3-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 169208870) has the molecular formula C18H15F3N6O2S and a molecular weight of 436.42 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-[(2-fluorophenyl)methyl]-3-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-[(2-fluorophenyl)methyl]-3-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID169208870
Molecular FormulaC18H15F3N6O2S
Molecular Weight436.42 g/mol
Exact Mass436.09
IUPAC NameN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-[(2-fluorophenyl)methyl]-3-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1c(C(=O)Nc2nnc(C(F)F)s2)nn2c1C(=O)N(Cc1ccccc1F)CC2
InChIInChI=1S/C18H15F3N6O2S/c1-9-12(15(28)22-18-24-23-16(30-18)14(20)21)25-27-7-6-26(17(29)13(9)27)8-10-4-2-3-5-11(10)19/h2-5,14H,6-8H2,1H3,(H,22,24,28)
InChIKeyDCHYFLMJKNFQLY-UHFFFAOYSA-N
XLogP3.03
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-[(2-fluorophenyl)methyl]-3-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-[(2-fluorophenyl)methyl]-3-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 169208870) is N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-[(2-fluorophenyl)methyl]-3-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-[(2-fluorophenyl)methyl]-3-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-[(2-fluorophenyl)methyl]-3-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1c(C(=O)Nc2nnc(C(F)F)s2)nn2c1C(=O)N(Cc1ccccc1F)CC2.
What is the InChIKey of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-[(2-fluorophenyl)methyl]-3-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is DCHYFLMJKNFQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O2S/c1-9-12(15(28)22-18-24-23-16(30-18)14(20)21)25-27-7-6-26(17(29)13(9)27)8-10-4-2-3-5-11(10)19/h2-5,14H,6-8H2,1H3,(H,22,24,28).
What are the key properties of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-[(2-fluorophenyl)methyl]-3-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-[(2-fluorophenyl)methyl]-3-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 436.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-[(2-fluorophenyl)methyl]-3-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 169208870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).