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

C17H30N4O2 — CID 97058820

IUPAC(2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-propylmorpholine-4-carboxamide
SMILESCCC[C@H]1CN(C(=O)Nc2cnn(CC(C)C)c2CC)CCO1
InChIInChI=1S/C17H30N4O2/c1-5-7-14-12-20(8-9-23-14)17(22)19-15-10-18-21(11-13(3)4)16(15)6-2/h10,13-14H,5-9,11-12H2,1-4H3,(H,19,22)/t14-/m0/s1
InChIKeyZCNKXHIDYYTQKM-AWEZNQCLSA-N
MW322.45 g/mol
LogP3.13
Rot. Bonds6

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

(2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-propylmorpholine-4-carboxamide (PubChem CID 97058820) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-propylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-propylmorpholine-4-carboxamide
PubChem CID97058820
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name(2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-propylmorpholine-4-carboxamide
SMILESCCC[C@H]1CN(C(=O)Nc2cnn(CC(C)C)c2CC)CCO1
InChIInChI=1S/C17H30N4O2/c1-5-7-14-12-20(8-9-23-14)17(22)19-15-10-18-21(11-13(3)4)16(15)6-2/h10,13-14H,5-9,11-12H2,1-4H3,(H,19,22)/t14-/m0/s1
InChIKeyZCNKXHIDYYTQKM-AWEZNQCLSA-N
XLogP3.13
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-propylmorpholine-4-carboxamide?
The IUPAC name of (2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-propylmorpholine-4-carboxamide (CID 97058820) is (2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-propylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-propylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-propylmorpholine-4-carboxamide is CCC[C@H]1CN(C(=O)Nc2cnn(CC(C)C)c2CC)CCO1.
What is the InChIKey of (2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-propylmorpholine-4-carboxamide?
The InChIKey is ZCNKXHIDYYTQKM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-5-7-14-12-20(8-9-23-14)17(22)19-15-10-18-21(11-13(3)4)16(15)6-2/h10,13-14H,5-9,11-12H2,1-4H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-propylmorpholine-4-carboxamide?
(2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-propylmorpholine-4-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-propylmorpholine-4-carboxamide is sourced from PubChem (CID 97058820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).