2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide

C19H24N4O4 — CID 125164163

IUPAC2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide
SMILESCOc1ccccc1CC(=O)Nc1cnn(CC(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C19H24N4O4/c1-26-17-7-3-2-5-14(17)9-18(24)22-15-10-21-23(12-15)13-19(25)20-11-16-6-4-8-27-16/h2-3,5,7,10,12,16H,4,6,8-9,11,13H2,1H3,(H,20,25)(H,22,24)/t16-/m0/s1
InChIKeyWTGQNHIXMRIOSI-INIZCTEOSA-N
MW372.43 g/mol
LogP1.37
Rot. Bonds8

About 2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide

2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide (PubChem CID 125164163) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide
PubChem CID125164163
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide
SMILESCOc1ccccc1CC(=O)Nc1cnn(CC(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C19H24N4O4/c1-26-17-7-3-2-5-14(17)9-18(24)22-15-10-21-23(12-15)13-19(25)20-11-16-6-4-8-27-16/h2-3,5,7,10,12,16H,4,6,8-9,11,13H2,1H3,(H,20,25)(H,22,24)/t16-/m0/s1
InChIKeyWTGQNHIXMRIOSI-INIZCTEOSA-N
XLogP1.37
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxamide
CID 92632097
N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943622
3-(2-methoxyphenyl)-N-[1-[2-[methyl-[2-[(2R)-oxan-2-yl]ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 26343959
N-[1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]pyrazol-4-yl]benzamide
CID 126462403
2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121016977
2-(4-aminopyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92632010
2-(2-ethoxyphenoxy)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 56817971
(E)-3-(2-methoxyphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 94801288
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide
CID 57422281
3-ethyl-5-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]-1,2-oxazole-4-carboxamide
CID 92632233
methyl N-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate
CID 112520366
N-[(2-methylphenyl)methyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide
CID 96539643

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide (CID 125164163) is 2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide is COc1ccccc1CC(=O)Nc1cnn(CC(=O)NC[C@@H]2CCCO2)c1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide?
The InChIKey is WTGQNHIXMRIOSI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-26-17-7-3-2-5-14(17)9-18(24)22-15-10-21-23(12-15)13-19(25)20-11-16-6-4-8-27-16/h2-3,5,7,10,12,16H,4,6,8-9,11,13H2,1H3,(H,20,25)(H,22,24)/t16-/m0/s1.
What are the key properties of 2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide?
2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide has a molecular weight of 372.43 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 125164163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).