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

C14H14F3N7O — CID 19583582

IUPACN-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)c1nc2ncccn2n1
InChIInChI=1S/C14H14F3N7O/c1-9-8-10(14(15,16)17)21-23(9)6-2-4-18-12(25)11-20-13-19-5-3-7-24(13)22-11/h3,5,7-8H,2,4,6H2,1H3,(H,18,25)
InChIKeyPCWANRVGQUUOHL-UHFFFAOYSA-N
MW353.31 g/mol
LogP1.47
Rot. Bonds5

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

N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19583582) has the molecular formula C14H14F3N7O and a molecular weight of 353.31 g/mol. Its IUPAC name is N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19583582
Molecular FormulaC14H14F3N7O
Molecular Weight353.31 g/mol
Exact Mass353.12
IUPAC NameN-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)c1nc2ncccn2n1
InChIInChI=1S/C14H14F3N7O/c1-9-8-10(14(15,16)17)21-23(9)6-2-4-18-12(25)11-20-13-19-5-3-7-24(13)22-11/h3,5,7-8H,2,4,6H2,1H3,(H,18,25)
InChIKeyPCWANRVGQUUOHL-UHFFFAOYSA-N
XLogP1.47
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 19583582) is N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1nc2ncccn2n1.
What is the InChIKey of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is PCWANRVGQUUOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N7O/c1-9-8-10(14(15,16)17)21-23(9)6-2-4-18-12(25)11-20-13-19-5-3-7-24(13)22-11/h3,5,7-8H,2,4,6H2,1H3,(H,18,25).
What are the key properties of N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 353.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19583582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).