N-(1-tert-butylpyrazol-4-yl)-2-(3-hydroxy-1-adamantyl)acetamide

C19H29N3O2 — CID 102554342

IUPACN-(1-tert-butylpyrazol-4-yl)-2-(3-hydroxy-1-adamantyl)acetamide
SMILESCC(C)(C)n1cc(NC(=O)CC23CC4CC(CC(O)(C4)C2)C3)cn1
InChIInChI=1S/C19H29N3O2/c1-17(2,3)22-11-15(10-20-22)21-16(23)9-18-5-13-4-14(6-18)8-19(24,7-13)12-18/h10-11,13-14,24H,4-9,12H2,1-3H3,(H,21,23)
InChIKeyFCYKOVSAXHGMFY-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.30
Rot. Bonds3

About N-(1-tert-butylpyrazol-4-yl)-2-(3-hydroxy-1-adamantyl)acetamide

N-(1-tert-butylpyrazol-4-yl)-2-(3-hydroxy-1-adamantyl)acetamide (PubChem CID 102554342) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)-2-(3-hydroxy-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)-2-(3-hydroxy-1-adamantyl)acetamide
PubChem CID102554342
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-(1-tert-butylpyrazol-4-yl)-2-(3-hydroxy-1-adamantyl)acetamide
SMILESCC(C)(C)n1cc(NC(=O)CC23CC4CC(CC(O)(C4)C2)C3)cn1
InChIInChI=1S/C19H29N3O2/c1-17(2,3)22-11-15(10-20-22)21-16(23)9-18-5-13-4-14(6-18)8-19(24,7-13)12-18/h10-11,13-14,24H,4-9,12H2,1-3H3,(H,21,23)
InChIKeyFCYKOVSAXHGMFY-UHFFFAOYSA-N
XLogP3.30
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)-2-(3-hydroxy-1-adamantyl)acetamide?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)-2-(3-hydroxy-1-adamantyl)acetamide (CID 102554342) is N-(1-tert-butylpyrazol-4-yl)-2-(3-hydroxy-1-adamantyl)acetamide.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)-2-(3-hydroxy-1-adamantyl)acetamide?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)-2-(3-hydroxy-1-adamantyl)acetamide is CC(C)(C)n1cc(NC(=O)CC23CC4CC(CC(O)(C4)C2)C3)cn1.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)-2-(3-hydroxy-1-adamantyl)acetamide?
The InChIKey is FCYKOVSAXHGMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-17(2,3)22-11-15(10-20-22)21-16(23)9-18-5-13-4-14(6-18)8-19(24,7-13)12-18/h10-11,13-14,24H,4-9,12H2,1-3H3,(H,21,23).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)-2-(3-hydroxy-1-adamantyl)acetamide?
N-(1-tert-butylpyrazol-4-yl)-2-(3-hydroxy-1-adamantyl)acetamide has a molecular weight of 331.46 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)-2-(3-hydroxy-1-adamantyl)acetamide is sourced from PubChem (CID 102554342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).