5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

C13H16F3N5O — CID 42517516

IUPAC5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1nccn1Cc1cc(C(=O)NCC(F)(F)F)n[nH]1
InChIInChI=1S/C13H16F3N5O/c1-8(2)11-17-3-4-21(11)6-9-5-10(20-19-9)12(22)18-7-13(14,15)16/h3-5,8H,6-7H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyQTEYAXPLCINLQO-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.07
Rot. Bonds5

About 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (PubChem CID 42517516) has the molecular formula C13H16F3N5O and a molecular weight of 315.30 g/mol. Its IUPAC name is 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
PubChem CID42517516
Molecular FormulaC13H16F3N5O
Molecular Weight315.30 g/mol
Exact Mass315.13
IUPAC Name5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1nccn1Cc1cc(C(=O)NCC(F)(F)F)n[nH]1
InChIInChI=1S/C13H16F3N5O/c1-8(2)11-17-3-4-21(11)6-9-5-10(20-19-9)12(22)18-7-13(14,15)16/h3-5,8H,6-7H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyQTEYAXPLCINLQO-UHFFFAOYSA-N
XLogP2.07
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (CID 42517516) is 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is CC(C)c1nccn1Cc1cc(C(=O)NCC(F)(F)F)n[nH]1.
What is the InChIKey of 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is QTEYAXPLCINLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O/c1-8(2)11-17-3-4-21(11)6-9-5-10(20-19-9)12(22)18-7-13(14,15)16/h3-5,8H,6-7H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 315.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42517516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).