N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)-N-propan-2-ylpropanamide

C15H25N3O3 — CID 75377771

IUPACN-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)-N-propan-2-ylpropanamide
SMILESCC(C)N(C(=O)CCOC1CCOCC1)c1cnn(C)c1
InChIInChI=1S/C15H25N3O3/c1-12(2)18(13-10-16-17(3)11-13)15(19)6-9-21-14-4-7-20-8-5-14/h10-12,14H,4-9H2,1-3H3
InChIKeyQFRCPHIYXSEKJE-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.75
Rot. Bonds6

About N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)-N-propan-2-ylpropanamide

N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)-N-propan-2-ylpropanamide (PubChem CID 75377771) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)-N-propan-2-ylpropanamide
PubChem CID75377771
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)-N-propan-2-ylpropanamide
SMILESCC(C)N(C(=O)CCOC1CCOCC1)c1cnn(C)c1
InChIInChI=1S/C15H25N3O3/c1-12(2)18(13-10-16-17(3)11-13)15(19)6-9-21-14-4-7-20-8-5-14/h10-12,14H,4-9H2,1-3H3
InChIKeyQFRCPHIYXSEKJE-UHFFFAOYSA-N
XLogP1.75
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)-N-propan-2-ylpropanamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)-N-propan-2-ylpropanamide (CID 75377771) is N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)-N-propan-2-ylpropanamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)-N-propan-2-ylpropanamide is CC(C)N(C(=O)CCOC1CCOCC1)c1cnn(C)c1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)-N-propan-2-ylpropanamide?
The InChIKey is QFRCPHIYXSEKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-12(2)18(13-10-16-17(3)11-13)15(19)6-9-21-14-4-7-20-8-5-14/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)-N-propan-2-ylpropanamide?
N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)-N-propan-2-ylpropanamide has a molecular weight of 295.38 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)-N-propan-2-ylpropanamide is sourced from PubChem (CID 75377771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).