(2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide

C17H22N4O2 — CID 95280201

IUPAC(2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide
SMILESCC[C@@H]1CN(C(=O)NCc2cnn(-c3ccccc3)c2)CCO1
InChIInChI=1S/C17H22N4O2/c1-2-16-13-20(8-9-23-16)17(22)18-10-14-11-19-21(12-14)15-6-4-3-5-7-15/h3-7,11-12,16H,2,8-10,13H2,1H3,(H,18,22)/t16-/m1/s1
InChIKeyKWRDSYGPTFWKDS-MRXNPFEDSA-N
MW314.39 g/mol
LogP2.19
Rot. Bonds4

About (2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide

(2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide (PubChem CID 95280201) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide
PubChem CID95280201
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide
SMILESCC[C@@H]1CN(C(=O)NCc2cnn(-c3ccccc3)c2)CCO1
InChIInChI=1S/C17H22N4O2/c1-2-16-13-20(8-9-23-16)17(22)18-10-14-11-19-21(12-14)15-6-4-3-5-7-15/h3-7,11-12,16H,2,8-10,13H2,1H3,(H,18,22)/t16-/m1/s1
InChIKeyKWRDSYGPTFWKDS-MRXNPFEDSA-N
XLogP2.19
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 51084104
3-(hydroxymethyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 111443610
1-(4-methylmorpholin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 78942793
(2R)-2-ethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 95285314
(2-ethylmorpholin-4-yl)-(1-pyridin-4-ylpyrazol-4-yl)methanone
CID 154797843
(2R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-1,4-oxazepane-4-carboxamide
CID 126446890
2-(ethylamino)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 62835939
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 32720733
(2S)-2-ethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 94030790
2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
CID 75445414
2-[4-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458536
2-[(1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60790945

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of (2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide (CID 95280201) is (2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide is CC[C@@H]1CN(C(=O)NCc2cnn(-c3ccccc3)c2)CCO1.
What is the InChIKey of (2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide?
The InChIKey is KWRDSYGPTFWKDS-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-16-13-20(8-9-23-16)17(22)18-10-14-11-19-21(12-14)15-6-4-3-5-7-15/h3-7,11-12,16H,2,8-10,13H2,1H3,(H,18,22)/t16-/m1/s1.
What are the key properties of (2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide?
(2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 95280201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).