2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-(2-methylpropyl)propanamide

C17H30N4O2 — CID 71928579

IUPAC2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-(2-methylpropyl)propanamide
SMILESCCn1cc(C2OCCC2CNC(C)C(=O)NCC(C)C)cn1
InChIInChI=1S/C17H30N4O2/c1-5-21-11-15(10-20-21)16-14(6-7-23-16)9-18-13(4)17(22)19-8-12(2)3/h10-14,16,18H,5-9H2,1-4H3,(H,19,22)
InChIKeyCWCWIKQXFYCBHT-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.73
Rot. Bonds8

About 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-(2-methylpropyl)propanamide

2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-(2-methylpropyl)propanamide (PubChem CID 71928579) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-(2-methylpropyl)propanamide
PubChem CID71928579
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-(2-methylpropyl)propanamide
SMILESCCn1cc(C2OCCC2CNC(C)C(=O)NCC(C)C)cn1
InChIInChI=1S/C17H30N4O2/c1-5-21-11-15(10-20-21)16-14(6-7-23-16)9-18-13(4)17(22)19-8-12(2)3/h10-14,16,18H,5-9H2,1-4H3,(H,19,22)
InChIKeyCWCWIKQXFYCBHT-UHFFFAOYSA-N
XLogP1.73
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-(2-methylpropyl)propanamide (CID 71928579) is 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-(2-methylpropyl)propanamide is CCn1cc(C2OCCC2CNC(C)C(=O)NCC(C)C)cn1.
What is the InChIKey of 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-(2-methylpropyl)propanamide?
The InChIKey is CWCWIKQXFYCBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-5-21-11-15(10-20-21)16-14(6-7-23-16)9-18-13(4)17(22)19-8-12(2)3/h10-14,16,18H,5-9H2,1-4H3,(H,19,22).
What are the key properties of 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-(2-methylpropyl)propanamide?
2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-(2-methylpropyl)propanamide has a molecular weight of 322.45 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 71928579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).