2-amino-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(oxan-4-yl)acetamide

C19H26N4O2 — CID 120784550

IUPAC2-amino-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(oxan-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)C(N)C1CCOCC1
InChIInChI=1S/C19H26N4O2/c1-13-17(14(2)23(22-13)16-6-4-3-5-7-16)12-21-19(24)18(20)15-8-10-25-11-9-15/h3-7,15,18H,8-12,20H2,1-2H3,(H,21,24)
InChIKeyUFDLEANZQJKAAK-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.86
Rot. Bonds5

About 2-amino-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(oxan-4-yl)acetamide

2-amino-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(oxan-4-yl)acetamide (PubChem CID 120784550) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-amino-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(oxan-4-yl)acetamide
PubChem CID120784550
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-amino-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(oxan-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)C(N)C1CCOCC1
InChIInChI=1S/C19H26N4O2/c1-13-17(14(2)23(22-13)16-6-4-3-5-7-16)12-21-19(24)18(20)15-8-10-25-11-9-15/h3-7,15,18H,8-12,20H2,1-2H3,(H,21,24)
InChIKeyUFDLEANZQJKAAK-UHFFFAOYSA-N
XLogP1.86
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 99699804
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide
CID 119691735
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473347
2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797215
1-cyclopropyl-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 63294865
2-amino-2-(oxan-4-yl)-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
CID 120793629
2-cyclopropyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propan-1-amine
CID 115592625
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide
CID 51279535
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907001
N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]cyclobutanecarboxamide
CID 110717356
2-amino-N-(2-morpholin-4-yl-2-phenylethyl)-2-(oxan-4-yl)acetamide
CID 120798354

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(oxan-4-yl)acetamide (CID 120784550) is 2-amino-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(oxan-4-yl)acetamide is Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C(N)C1CCOCC1.
What is the InChIKey of 2-amino-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is UFDLEANZQJKAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-17(14(2)23(22-13)16-6-4-3-5-7-16)12-21-19(24)18(20)15-8-10-25-11-9-15/h3-7,15,18H,8-12,20H2,1-2H3,(H,21,24).
What are the key properties of 2-amino-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120784550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).