5-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

C18H14F3N7O2 — CID 138573077

IUPAC5-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nc(NC(=O)c2c(C)nc3c(-c4ccccc4)c(C(F)(F)F)[nH]n3c2=O)n[nH]1
InChIInChI=1S/C18H14F3N7O2/c1-8-11(15(29)24-17-23-9(2)25-26-17)16(30)28-14(22-8)12(10-6-4-3-5-7-10)13(27-28)18(19,20)21/h3-7,27H,1-2H3,(H2,23,24,25,26,29)
InChIKeyHXQHAQPFRQYLOW-UHFFFAOYSA-N
MW417.35 g/mol
LogP2.70
Rot. Bonds3

About 5-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

5-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 138573077) has the molecular formula C18H14F3N7O2 and a molecular weight of 417.35 g/mol. Its IUPAC name is 5-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID138573077
Molecular FormulaC18H14F3N7O2
Molecular Weight417.35 g/mol
Exact Mass417.12
IUPAC Name5-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nc(NC(=O)c2c(C)nc3c(-c4ccccc4)c(C(F)(F)F)[nH]n3c2=O)n[nH]1
InChIInChI=1S/C18H14F3N7O2/c1-8-11(15(29)24-17-23-9(2)25-26-17)16(30)28-14(22-8)12(10-6-4-3-5-7-10)13(27-28)18(19,20)21/h3-7,27H,1-2H3,(H2,23,24,25,26,29)
InChIKeyHXQHAQPFRQYLOW-UHFFFAOYSA-N
XLogP2.70
TPSA120.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155883978
N-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 71864224
4-[5-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-1H-1,2,4-triazol-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137029230
4-[5-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-1H-1,2,4-triazol-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137029282
2-methyl-4-[5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1H-1,2,4-triazol-3-yl]-1H-pyrimidin-6-one
CID 137029295
4-[5-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-1H-1,2,4-triazol-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137281611
5-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138557449
5-methyl-7-oxo-3-phenyl-N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 138557622
5-methyl-4-[5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1H-1,2,4-triazol-3-yl]-1H-pyrimidin-6-one
CID 145156764
4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide
CID 36580442
5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(4-methylphenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973794
5-Methyl-2-({3-[4-(trifluoromethyl)benzyl]-1,2,4-oxadiazol-5-yl}methyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol trifluoroacetate (salt)
CID 56852023

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 138573077) is 5-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1nc(NC(=O)c2c(C)nc3c(-c4ccccc4)c(C(F)(F)F)[nH]n3c2=O)n[nH]1.
What is the InChIKey of 5-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is HXQHAQPFRQYLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N7O2/c1-8-11(15(29)24-17-23-9(2)25-26-17)16(30)28-14(22-8)12(10-6-4-3-5-7-10)13(27-28)18(19,20)21/h3-7,27H,1-2H3,(H2,23,24,25,26,29).
What are the key properties of 5-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 417.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 138573077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).