N-[2-(1-methyltriazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

C10H11F3N6O — CID 166240008

IUPACN-[2-(1-methyltriazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCn1cc(CCNC(=O)c2cn[nH]c2C(F)(F)F)nn1
InChIInChI=1S/C10H11F3N6O/c1-19-5-6(16-18-19)2-3-14-9(20)7-4-15-17-8(7)10(11,12)13/h4-5H,2-3H2,1H3,(H,14,20)(H,15,17)
InChIKeyGKTUFUZHGZWTOF-UHFFFAOYSA-N
MW288.23 g/mol
LogP0.53
Rot. Bonds4

About N-[2-(1-methyltriazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

N-[2-(1-methyltriazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (PubChem CID 166240008) has the molecular formula C10H11F3N6O and a molecular weight of 288.23 g/mol. Its IUPAC name is N-[2-(1-methyltriazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methyltriazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
PubChem CID166240008
Molecular FormulaC10H11F3N6O
Molecular Weight288.23 g/mol
Exact Mass288.09
IUPAC NameN-[2-(1-methyltriazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCn1cc(CCNC(=O)c2cn[nH]c2C(F)(F)F)nn1
InChIInChI=1S/C10H11F3N6O/c1-19-5-6(16-18-19)2-3-14-9(20)7-4-15-17-8(7)10(11,12)13/h4-5H,2-3H2,1H3,(H,14,20)(H,15,17)
InChIKeyGKTUFUZHGZWTOF-UHFFFAOYSA-N
XLogP0.53
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyltriazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(1-methyltriazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CID 166240008) is N-[2-(1-methyltriazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(1-methyltriazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(1-methyltriazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is Cn1cc(CCNC(=O)c2cn[nH]c2C(F)(F)F)nn1.
What is the InChIKey of N-[2-(1-methyltriazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is GKTUFUZHGZWTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6O/c1-19-5-6(16-18-19)2-3-14-9(20)7-4-15-17-8(7)10(11,12)13/h4-5H,2-3H2,1H3,(H,14,20)(H,15,17).
What are the key properties of N-[2-(1-methyltriazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
N-[2-(1-methyltriazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 288.23 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyltriazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 166240008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).