2-amino-2-(oxan-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide

C16H20N4O2 — CID 120790126

IUPAC2-amino-2-(oxan-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide
SMILESNC(C(=O)Nc1cnn(-c2ccccc2)c1)C1CCOCC1
InChIInChI=1S/C16H20N4O2/c17-15(12-6-8-22-9-7-12)16(21)19-13-10-18-20(11-13)14-4-2-1-3-5-14/h1-5,10-12,15H,6-9,17H2,(H,19,21)
InChIKeyBUQBBAKOTWIYJV-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.56
Rot. Bonds4

About 2-amino-2-(oxan-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide

2-amino-2-(oxan-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 120790126) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide
PubChem CID120790126
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-amino-2-(oxan-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide
SMILESNC(C(=O)Nc1cnn(-c2ccccc2)c1)C1CCOCC1
InChIInChI=1S/C16H20N4O2/c17-15(12-6-8-22-9-7-12)16(21)19-13-10-18-20(11-13)14-4-2-1-3-5-14/h1-5,10-12,15H,6-9,17H2,(H,19,21)
InChIKeyBUQBBAKOTWIYJV-UHFFFAOYSA-N
XLogP1.56
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792369
(2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)butanamide
CID 119753020
2-amino-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-2-(oxan-4-yl)acetamide
CID 120793438
2-amino-2-(oxan-4-yl)-N-[4-(triazol-1-yl)phenyl]acetamide
CID 120790998
2-amino-2-(oxan-4-yl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride
CID 120799505
2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 120798994
2-amino-2-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 120784046
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105138644
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
CID 120782718

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide (CID 120790126) is 2-amino-2-(oxan-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide is NC(C(=O)Nc1cnn(-c2ccccc2)c1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is BUQBBAKOTWIYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-15(12-6-8-22-9-7-12)16(21)19-13-10-18-20(11-13)14-4-2-1-3-5-14/h1-5,10-12,15H,6-9,17H2,(H,19,21).
What are the key properties of 2-amino-2-(oxan-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide?
2-amino-2-(oxan-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 120790126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).