N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-(trifluoromethyl)oxolane-2-carboxamide

C13H16F3N5O2 — CID 166318378

IUPACN-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-(trifluoromethyl)oxolane-2-carboxamide
SMILESCCc1nn(C)c2n[nH]c(NC(=O)C3CC(C(F)(F)F)CO3)c12
InChIInChI=1S/C13H16F3N5O2/c1-3-7-9-10(18-19-11(9)21(2)20-7)17-12(22)8-4-6(5-23-8)13(14,15)16/h6,8H,3-5H2,1-2H3,(H2,17,18,19,22)
InChIKeyPJBZIXDUJJBWJV-UHFFFAOYSA-N
MW331.30 g/mol
LogP1.76
Rot. Bonds3

About N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-(trifluoromethyl)oxolane-2-carboxamide

N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166318378) has the molecular formula C13H16F3N5O2 and a molecular weight of 331.30 g/mol. Its IUPAC name is N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166318378
Molecular FormulaC13H16F3N5O2
Molecular Weight331.30 g/mol
Exact Mass331.13
IUPAC NameN-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-(trifluoromethyl)oxolane-2-carboxamide
SMILESCCc1nn(C)c2n[nH]c(NC(=O)C3CC(C(F)(F)F)CO3)c12
InChIInChI=1S/C13H16F3N5O2/c1-3-7-9-10(18-19-11(9)21(2)20-7)17-12(22)8-4-6(5-23-8)13(14,15)16/h6,8H,3-5H2,1-2H3,(H2,17,18,19,22)
InChIKeyPJBZIXDUJJBWJV-UHFFFAOYSA-N
XLogP1.76
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-(trifluoromethyl)oxolane-2-carboxamide (CID 166318378) is N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-(trifluoromethyl)oxolane-2-carboxamide is CCc1nn(C)c2n[nH]c(NC(=O)C3CC(C(F)(F)F)CO3)c12.
What is the InChIKey of N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is PJBZIXDUJJBWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O2/c1-3-7-9-10(18-19-11(9)21(2)20-7)17-12(22)8-4-6(5-23-8)13(14,15)16/h6,8H,3-5H2,1-2H3,(H2,17,18,19,22).
What are the key properties of N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-(trifluoromethyl)oxolane-2-carboxamide?
N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 331.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166318378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).