(2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide

C17H30N4O2 — CID 124843961

IUPAC(2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide
SMILESCCc1c(C)nn(CCNC(=O)[C@@H](C)CN2CCOCC2)c1C
InChIInChI=1S/C17H30N4O2/c1-5-16-14(3)19-21(15(16)4)7-6-18-17(22)13(2)12-20-8-10-23-11-9-20/h13H,5-12H2,1-4H3,(H,18,22)/t13-/m0/s1
InChIKeyFLCIUTBHOPMWJG-ZDUSSCGKSA-N
MW322.45 g/mol
LogP1.15
Rot. Bonds7

About (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide

(2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide (PubChem CID 124843961) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide
PubChem CID124843961
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name(2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide
SMILESCCc1c(C)nn(CCNC(=O)[C@@H](C)CN2CCOCC2)c1C
InChIInChI=1S/C17H30N4O2/c1-5-16-14(3)19-21(15(16)4)7-6-18-17(22)13(2)12-20-8-10-23-11-9-20/h13H,5-12H2,1-4H3,(H,18,22)/t13-/m0/s1
InChIKeyFLCIUTBHOPMWJG-ZDUSSCGKSA-N
XLogP1.15
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 35161652
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 71689005
2-(4-chloropyrazol-1-yl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]propanamide
CID 118788357
2-methyl-3-morpholin-4-yl-N-[(1-propylimidazol-2-yl)methyl]propanamide
CID 122570107
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)butanamide
CID 19549663
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 19525666
(2R)-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 92596397
2-morpholin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 110446396
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 19575831
N-benzyl-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 56500316
(2R)-2-(4-methylpiperazin-1-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
CID 125166787
(2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide
CID 125179788

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide?
The IUPAC name of (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide (CID 124843961) is (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide.
What is the SMILES notation for (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide?
The canonical SMILES for (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide is CCc1c(C)nn(CCNC(=O)[C@@H](C)CN2CCOCC2)c1C.
What is the InChIKey of (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide?
The InChIKey is FLCIUTBHOPMWJG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-5-16-14(3)19-21(15(16)4)7-6-18-17(22)13(2)12-20-8-10-23-11-9-20/h13H,5-12H2,1-4H3,(H,18,22)/t13-/m0/s1.
What are the key properties of (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide?
(2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide has a molecular weight of 322.45 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 124843961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).