N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C11H8F3N7O — CID 19583837

IUPACN-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1[nH]nc(C(F)(F)F)c1NC(=O)c1nc2ncccn2n1
InChIInChI=1S/C11H8F3N7O/c1-5-6(7(19-18-5)11(12,13)14)16-9(22)8-17-10-15-3-2-4-21(10)20-8/h2-4H,1H3,(H,16,22)(H,18,19)
InChIKeyNALWYPNXCGGBMO-UHFFFAOYSA-N
MW311.23 g/mol
LogP1.43
Rot. Bonds2

About N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19583837) has the molecular formula C11H8F3N7O and a molecular weight of 311.23 g/mol. Its IUPAC name is N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19583837
Molecular FormulaC11H8F3N7O
Molecular Weight311.23 g/mol
Exact Mass311.07
IUPAC NameN-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1[nH]nc(C(F)(F)F)c1NC(=O)c1nc2ncccn2n1
InChIInChI=1S/C11H8F3N7O/c1-5-6(7(19-18-5)11(12,13)14)16-9(22)8-17-10-15-3-2-4-21(10)20-8/h2-4H,1H3,(H,16,22)(H,18,19)
InChIKeyNALWYPNXCGGBMO-UHFFFAOYSA-N
XLogP1.43
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 19583837) is N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1[nH]nc(C(F)(F)F)c1NC(=O)c1nc2ncccn2n1.
What is the InChIKey of N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NALWYPNXCGGBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N7O/c1-5-6(7(19-18-5)11(12,13)14)16-9(22)8-17-10-15-3-2-4-21(10)20-8/h2-4H,1H3,(H,16,22)(H,18,19).
What are the key properties of N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 311.23 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19583837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).