(2S)-2-ethyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-methylmorpholine-4-carboxamide

C17H30N4O2 — CID 100659968

IUPAC(2S)-2-ethyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-methylmorpholine-4-carboxamide
SMILESCCc1c(NC(=O)N2CCO[C@@](C)(CC)C2)cnn1CC(C)C
InChIInChI=1S/C17H30N4O2/c1-6-15-14(10-18-21(15)11-13(3)4)19-16(22)20-8-9-23-17(5,7-2)12-20/h10,13H,6-9,11-12H2,1-5H3,(H,19,22)/t17-/m0/s1
InChIKeyMIIXUGJYZPBQFI-KRWDZBQOSA-N
MW322.45 g/mol
LogP3.13
Rot. Bonds5

About (2S)-2-ethyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-methylmorpholine-4-carboxamide

(2S)-2-ethyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-methylmorpholine-4-carboxamide (PubChem CID 100659968) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2S)-2-ethyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-ethyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-methylmorpholine-4-carboxamide
PubChem CID100659968
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name(2S)-2-ethyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-methylmorpholine-4-carboxamide
SMILESCCc1c(NC(=O)N2CCO[C@@](C)(CC)C2)cnn1CC(C)C
InChIInChI=1S/C17H30N4O2/c1-6-15-14(10-18-21(15)11-13(3)4)19-16(22)20-8-9-23-17(5,7-2)12-20/h10,13H,6-9,11-12H2,1-5H3,(H,19,22)/t17-/m0/s1
InChIKeyMIIXUGJYZPBQFI-KRWDZBQOSA-N
XLogP3.13
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-methylmorpholine-4-carboxamide?
The IUPAC name of (2S)-2-ethyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-methylmorpholine-4-carboxamide (CID 100659968) is (2S)-2-ethyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-ethyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-methylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-2-ethyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-methylmorpholine-4-carboxamide is CCc1c(NC(=O)N2CCO[C@@](C)(CC)C2)cnn1CC(C)C.
What is the InChIKey of (2S)-2-ethyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-methylmorpholine-4-carboxamide?
The InChIKey is MIIXUGJYZPBQFI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-6-15-14(10-18-21(15)11-13(3)4)19-16(22)20-8-9-23-17(5,7-2)12-20/h10,13H,6-9,11-12H2,1-5H3,(H,19,22)/t17-/m0/s1.
What are the key properties of (2S)-2-ethyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-methylmorpholine-4-carboxamide?
(2S)-2-ethyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-methylmorpholine-4-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-methylmorpholine-4-carboxamide is sourced from PubChem (CID 100659968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).