N-(2-tert-butylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide

C13H15F3N4O — CID 154764331

IUPACN-(2-tert-butylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)(C)n1nccc1NC(=O)c1ccc(C(F)(F)F)[nH]1
InChIInChI=1S/C13H15F3N4O/c1-12(2,3)20-10(6-7-17-20)19-11(21)8-4-5-9(18-8)13(14,15)16/h4-7,18H,1-3H3,(H,19,21)
InChIKeyRNEAYBLFHFSKDK-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.24
Rot. Bonds2

About N-(2-tert-butylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide

N-(2-tert-butylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide (PubChem CID 154764331) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is N-(2-tert-butylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide
PubChem CID154764331
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC NameN-(2-tert-butylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)(C)n1nccc1NC(=O)c1ccc(C(F)(F)F)[nH]1
InChIInChI=1S/C13H15F3N4O/c1-12(2,3)20-10(6-7-17-20)19-11(21)8-4-5-9(18-8)13(14,15)16/h4-7,18H,1-3H3,(H,19,21)
InChIKeyRNEAYBLFHFSKDK-UHFFFAOYSA-N
XLogP3.24
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2-tert-butylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide (CID 154764331) is N-(2-tert-butylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-tert-butylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2-tert-butylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide is CC(C)(C)n1nccc1NC(=O)c1ccc(C(F)(F)F)[nH]1.
What is the InChIKey of N-(2-tert-butylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is RNEAYBLFHFSKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O/c1-12(2,3)20-10(6-7-17-20)19-11(21)8-4-5-9(18-8)13(14,15)16/h4-7,18H,1-3H3,(H,19,21).
What are the key properties of N-(2-tert-butylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide?
N-(2-tert-butylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 300.28 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 154764331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).