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

C16H29N3O2 — CID 162668450

IUPAC1-butyl-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
SMILESCCCCn1nc(C(=O)NC(C)(C)CO)cc1C(C)(C)C
InChIInChI=1S/C16H29N3O2/c1-7-8-9-19-13(15(2,3)4)10-12(18-19)14(21)17-16(5,6)11-20/h10,20H,7-9,11H2,1-6H3,(H,17,21)
InChIKeyUFLJXMTXUWHXQF-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.48
Rot. Bonds6

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

1-butyl-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide (PubChem CID 162668450) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-butyl-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-butyl-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
PubChem CID162668450
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-butyl-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
SMILESCCCCn1nc(C(=O)NC(C)(C)CO)cc1C(C)(C)C
InChIInChI=1S/C16H29N3O2/c1-7-8-9-19-13(15(2,3)4)10-12(18-19)14(21)17-16(5,6)11-20/h10,20H,7-9,11H2,1-6H3,(H,17,21)
InChIKeyUFLJXMTXUWHXQF-UHFFFAOYSA-N
XLogP2.48
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-butyl-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide (CID 162668450) is 1-butyl-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-butyl-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-butyl-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide is CCCCn1nc(C(=O)NC(C)(C)CO)cc1C(C)(C)C.
What is the InChIKey of 1-butyl-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide?
The InChIKey is UFLJXMTXUWHXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-7-8-9-19-13(15(2,3)4)10-12(18-19)14(21)17-16(5,6)11-20/h10,20H,7-9,11H2,1-6H3,(H,17,21).
What are the key properties of 1-butyl-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide?
1-butyl-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 162668450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).