5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide

C18H23F3N4O2 — CID 162623030

IUPAC5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C18H23F3N4O2/c1-16(2,3)13-8-12(15(27)23-17(4,5)10-26)24-25(13)14-7-6-11(9-22-14)18(19,20)21/h6-9,26H,10H2,1-5H3,(H,23,27)
InChIKeyIIANDZHTDXIIKC-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.08
Rot. Bonds4

About 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide

5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide (PubChem CID 162623030) has the molecular formula C18H23F3N4O2 and a molecular weight of 384.40 g/mol. Its IUPAC name is 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
PubChem CID162623030
Molecular FormulaC18H23F3N4O2
Molecular Weight384.40 g/mol
Exact Mass384.18
IUPAC Name5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C18H23F3N4O2/c1-16(2,3)13-8-12(15(27)23-17(4,5)10-26)24-25(13)14-7-6-11(9-22-14)18(19,20)21/h6-9,26H,10H2,1-5H3,(H,23,27)
InChIKeyIIANDZHTDXIIKC-UHFFFAOYSA-N
XLogP3.08
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide (CID 162623030) is 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide is CC(C)(CO)NC(=O)c1cc(C(C)(C)C)n(-c2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
The InChIKey is IIANDZHTDXIIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O2/c1-16(2,3)13-8-12(15(27)23-17(4,5)10-26)24-25(13)14-7-6-11(9-22-14)18(19,20)21/h6-9,26H,10H2,1-5H3,(H,23,27).
What are the key properties of 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?
5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 162623030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).