2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide

C15H14F3N7O — CID 47054860

IUPAC2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ncn[nH]1
InChIInChI=1S/C15H14F3N7O/c1-8-11(5-13(26)22-14-20-7-21-23-14)9(2)25(24-8)12-4-3-10(6-19-12)15(16,17)18/h3-4,6-7H,5H2,1-2H3,(H2,20,21,22,23,26)
InChIKeyDNXXZHIRKVPCMF-UHFFFAOYSA-N
MW365.32 g/mol
LogP2.20
Rot. Bonds4

About 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide

2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 47054860) has the molecular formula C15H14F3N7O and a molecular weight of 365.32 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID47054860
Molecular FormulaC15H14F3N7O
Molecular Weight365.32 g/mol
Exact Mass365.12
IUPAC Name2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ncn[nH]1
InChIInChI=1S/C15H14F3N7O/c1-8-11(5-13(26)22-14-20-7-21-23-14)9(2)25(24-8)12-4-3-10(6-19-12)15(16,17)18/h3-4,6-7H,5H2,1-2H3,(H2,20,21,22,23,26)
InChIKeyDNXXZHIRKVPCMF-UHFFFAOYSA-N
XLogP2.20
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 47054860) is 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide is Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ncn[nH]1.
What is the InChIKey of 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is DNXXZHIRKVPCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N7O/c1-8-11(5-13(26)22-14-20-7-21-23-14)9(2)25(24-8)12-4-3-10(6-19-12)15(16,17)18/h3-4,6-7H,5H2,1-2H3,(H2,20,21,22,23,26).
What are the key properties of 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 365.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 47054860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).