5-ethyl-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide

C17H22N4O2 — CID 175873849

IUPAC5-ethyl-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)nn1C
InChIInChI=1S/C17H22N4O2/c1-3-14-10-15(20-21(14)2)17(22)19-13-6-4-12(5-7-13)16-11-18-8-9-23-16/h4-7,10,16,18H,3,8-9,11H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyQRVJDBRNLWDYOV-MRXNPFEDSA-N
MW314.39 g/mol
LogP1.90
Rot. Bonds4

About 5-ethyl-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide

5-ethyl-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide (PubChem CID 175873849) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-ethyl-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
PubChem CID175873849
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name5-ethyl-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)nn1C
InChIInChI=1S/C17H22N4O2/c1-3-14-10-15(20-21(14)2)17(22)19-13-6-4-12(5-7-13)16-11-18-8-9-23-16/h4-7,10,16,18H,3,8-9,11H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyQRVJDBRNLWDYOV-MRXNPFEDSA-N
XLogP1.90
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-morpholin-2-ylphenyl)-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide;hydrochloride
CID 166261549
2-(4-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride
CID 90047249
1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087883
1-(3-ethoxyphenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide;hydrochloride
CID 90047252
2-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)triazole-4-carboxamide
CID 90047217
1-(3-chloropyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 89262472
4-ethoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 67239889
4-chloro-2-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 130184022
2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 129387150
3-(2-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
CID 71087843
1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087810
4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride
CID 67239468

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide (CID 175873849) is 5-ethyl-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide is CCc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)nn1C.
What is the InChIKey of 5-ethyl-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide?
The InChIKey is QRVJDBRNLWDYOV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-14-10-15(20-21(14)2)17(22)19-13-6-4-12(5-7-13)16-11-18-8-9-23-16/h4-7,10,16,18H,3,8-9,11H2,1-2H3,(H,19,22)/t16-/m1/s1.
What are the key properties of 5-ethyl-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide?
5-ethyl-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 175873849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).