N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide

C15H19N3O2 — CID 111537345

IUPACN-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide
SMILESCCN(Cc1cnn(C)c1)C(=O)C(O)c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-3-18(11-12-9-16-17(2)10-12)15(20)14(19)13-7-5-4-6-8-13/h4-10,14,19H,3,11H2,1-2H3
InChIKeyQFCGZHBAIWJJQF-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.50
Rot. Bonds5

About N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide

N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide (PubChem CID 111537345) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide
PubChem CID111537345
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide
SMILESCCN(Cc1cnn(C)c1)C(=O)C(O)c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-3-18(11-12-9-16-17(2)10-12)15(20)14(19)13-7-5-4-6-8-13/h4-10,14,19H,3,11H2,1-2H3
InChIKeyQFCGZHBAIWJJQF-UHFFFAOYSA-N
XLogP1.50
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide
CID 119863717
3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 120503339
1-hydroxy-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-one
CID 103458024
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
2-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 119863711
2-amino-N-ethyl-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 115290980
3-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 119863755
2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol
CID 63193910
1-methyl-3-[(1R)-2-methyl-1-phenylpropyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 30302557
(2R)-2-(3-ethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetic acid
CID 97204167
1-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-3-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]urea
CID 126433746
2-hydroxy-2-phenyl-N,N-dipropylacetamide
CID 54160997

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide?
The IUPAC name of N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide (CID 111537345) is N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide?
The canonical SMILES for N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide is CCN(Cc1cnn(C)c1)C(=O)C(O)c1ccccc1.
What is the InChIKey of N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide?
The InChIKey is QFCGZHBAIWJJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-18(11-12-9-16-17(2)10-12)15(20)14(19)13-7-5-4-6-8-13/h4-10,14,19H,3,11H2,1-2H3.
What are the key properties of N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide?
N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide has a molecular weight of 273.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 111537345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).