N-[(2S)-2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-methyl-4-morpholin-4-ylbenzamide

C18H24N4O3 — CID 164642958

IUPACN-[(2S)-2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-methyl-4-morpholin-4-ylbenzamide
SMILESCc1cc(C(=O)NC[C@H](O)c2ccnn2C)ccc1N1CCOCC1
InChIInChI=1S/C18H24N4O3/c1-13-11-14(3-4-15(13)22-7-9-25-10-8-22)18(24)19-12-17(23)16-5-6-20-21(16)2/h3-6,11,17,23H,7-10,12H2,1-2H3,(H,19,24)/t17-/m0/s1
InChIKeyBKVHEBYQVSCLKE-KRWDZBQOSA-N
MW344.42 g/mol
LogP1.03
Rot. Bonds5

About N-[(2S)-2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-methyl-4-morpholin-4-ylbenzamide

N-[(2S)-2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-methyl-4-morpholin-4-ylbenzamide (PubChem CID 164642958) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-methyl-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-methyl-4-morpholin-4-ylbenzamide
PubChem CID164642958
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[(2S)-2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-methyl-4-morpholin-4-ylbenzamide
SMILESCc1cc(C(=O)NC[C@H](O)c2ccnn2C)ccc1N1CCOCC1
InChIInChI=1S/C18H24N4O3/c1-13-11-14(3-4-15(13)22-7-9-25-10-8-22)18(24)19-12-17(23)16-5-6-20-21(16)2/h3-6,11,17,23H,7-10,12H2,1-2H3,(H,19,24)/t17-/m0/s1
InChIKeyBKVHEBYQVSCLKE-KRWDZBQOSA-N
XLogP1.03
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide
CID 159941307
4-cyclohexyl-N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 136566340
methyl 3-methyl-4-morpholin-4-ylbenzoate
CID 67528858
N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 136566330
3-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]-2-(oxan-4-yl)propanoic acid
CID 122109131
N-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide
CID 168512289
N-(2-hydroxypropyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 84574824
N-[(2R)-2-hydroxy-3-phenylpropyl]-4-morpholin-4-ylbenzamide
CID 95327413
4-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-pyrrolidin-1-ylbenzamide
CID 92626833
2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid
CID 119350129
3-fluoro-4-morpholin-4-yl-N-(2-pyrazol-1-ylethyl)benzamide
CID 138998487
N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide
CID 95144214

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-methyl-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-methyl-4-morpholin-4-ylbenzamide (CID 164642958) is N-[(2S)-2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-methyl-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-methyl-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-methyl-4-morpholin-4-ylbenzamide is Cc1cc(C(=O)NC[C@H](O)c2ccnn2C)ccc1N1CCOCC1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-methyl-4-morpholin-4-ylbenzamide?
The InChIKey is BKVHEBYQVSCLKE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13-11-14(3-4-15(13)22-7-9-25-10-8-22)18(24)19-12-17(23)16-5-6-20-21(16)2/h3-6,11,17,23H,7-10,12H2,1-2H3,(H,19,24)/t17-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-methyl-4-morpholin-4-ylbenzamide?
N-[(2S)-2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-methyl-4-morpholin-4-ylbenzamide has a molecular weight of 344.42 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-methyl-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 164642958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).