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

C15H27N3O2 — CID 110000703

IUPAC1-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC(C)(C)CO)nn1C(C)(C)C
InChIInChI=1S/C15H27N3O2/c1-10(2)12-8-11(17-18(12)14(3,4)5)13(20)16-15(6,7)9-19/h8,10,19H,9H2,1-7H3,(H,16,20)
InChIKeySXEMKXJKGBUCGQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.26
Rot. Bonds4

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

1-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-ylpyrazole-3-carboxamide (PubChem CID 110000703) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-ylpyrazole-3-carboxamide
PubChem CID110000703
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC(C)(C)CO)nn1C(C)(C)C
InChIInChI=1S/C15H27N3O2/c1-10(2)12-8-11(17-18(12)14(3,4)5)13(20)16-15(6,7)9-19/h8,10,19H,9H2,1-7H3,(H,16,20)
InChIKeySXEMKXJKGBUCGQ-UHFFFAOYSA-N
XLogP2.26
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-N-[1-(hydroxymethyl)cyclopentyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 110008342
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1-tert-butyl-5-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 87012220
1-tert-butyl-5-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-3-carboxamide
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1-tert-butyl-N-[(2-fluorophenyl)methyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 46486795
1-tert-butyl-N'-[2-(4-methylanilino)acetyl]-5-propan-2-ylpyrazole-3-carbohydrazide
CID 56503498
1-tert-butyl-N-[(4-hydroxyoxan-4-yl)methyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 111486221
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CID 120946536
1-tert-butyl-5-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazole-3-carboxamide
CID 78888929
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-tert-butyl-5-propan-2-ylpyrazole-3-carboxamide
CID 55774633
1-tert-butyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 47046888
1-tert-butyl-5-propan-2-yl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-ylpyrazole-3-carboxamide (CID 110000703) is 1-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-ylpyrazole-3-carboxamide is CC(C)c1cc(C(=O)NC(C)(C)CO)nn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is SXEMKXJKGBUCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-10(2)12-8-11(17-18(12)14(3,4)5)13(20)16-15(6,7)9-19/h8,10,19H,9H2,1-7H3,(H,16,20).
What are the key properties of 1-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-ylpyrazole-3-carboxamide?
1-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 110000703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).