5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methoxyethyl)pyrazole-3-carboxamide

C15H27N3O3 — CID 162675814

IUPAC5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methoxyethyl)pyrazole-3-carboxamide
SMILESCOCCn1nc(C(=O)NC(C)(C)CO)cc1C(C)(C)C
InChIInChI=1S/C15H27N3O3/c1-14(2,3)12-9-11(17-18(12)7-8-21-6)13(20)16-15(4,5)10-19/h9,19H,7-8,10H2,1-6H3,(H,16,20)
InChIKeyOPCDDBVIRNVYCE-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.33
Rot. Bonds6

About 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methoxyethyl)pyrazole-3-carboxamide

5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methoxyethyl)pyrazole-3-carboxamide (PubChem CID 162675814) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methoxyethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methoxyethyl)pyrazole-3-carboxamide
PubChem CID162675814
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methoxyethyl)pyrazole-3-carboxamide
SMILESCOCCn1nc(C(=O)NC(C)(C)CO)cc1C(C)(C)C
InChIInChI=1S/C15H27N3O3/c1-14(2,3)12-9-11(17-18(12)7-8-21-6)13(20)16-15(4,5)10-19/h9,19H,7-8,10H2,1-6H3,(H,16,20)
InChIKeyOPCDDBVIRNVYCE-UHFFFAOYSA-N
XLogP1.33
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.33
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-(2-methoxyethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methoxyethyl)pyrazole-3-carboxamide (CID 162675814) is 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methoxyethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methoxyethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methoxyethyl)pyrazole-3-carboxamide is COCCn1nc(C(=O)NC(C)(C)CO)cc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methoxyethyl)pyrazole-3-carboxamide?
The InChIKey is OPCDDBVIRNVYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-14(2,3)12-9-11(17-18(12)7-8-21-6)13(20)16-15(4,5)10-19/h9,19H,7-8,10H2,1-6H3,(H,16,20).
What are the key properties of 5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methoxyethyl)pyrazole-3-carboxamide?
5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methoxyethyl)pyrazole-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 1.33, 6 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-(2-methoxyethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 162675814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).