2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylpropanamide

C16H27N3O3 — CID 56752496

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylpropanamide
SMILESCc1cc(C)n(C(C)C(=O)N(C)CC2(CO)CCOCC2)n1
InChIInChI=1S/C16H27N3O3/c1-12-9-13(2)19(17-12)14(3)15(21)18(4)10-16(11-20)5-7-22-8-6-16/h9,14,20H,5-8,10-11H2,1-4H3
InChIKeyGCBDRCJJUOXHFM-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.31
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylpropanamide

2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylpropanamide (PubChem CID 56752496) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylpropanamide
PubChem CID56752496
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylpropanamide
SMILESCc1cc(C)n(C(C)C(=O)N(C)CC2(CO)CCOCC2)n1
InChIInChI=1S/C16H27N3O3/c1-12-9-13(2)19(17-12)14(3)15(21)18(4)10-16(11-20)5-7-22-8-6-16/h9,14,20H,5-8,10-11H2,1-4H3
InChIKeyGCBDRCJJUOXHFM-UHFFFAOYSA-N
XLogP1.31
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylpropanamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylpropanamide (CID 56752496) is 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylpropanamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylpropanamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylpropanamide is Cc1cc(C)n(C(C)C(=O)N(C)CC2(CO)CCOCC2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylpropanamide?
The InChIKey is GCBDRCJJUOXHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-12-9-13(2)19(17-12)14(3)15(21)18(4)10-16(11-20)5-7-22-8-6-16/h9,14,20H,5-8,10-11H2,1-4H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylpropanamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylpropanamide has a molecular weight of 309.41 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylpropanamide is sourced from PubChem (CID 56752496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).