2-(3,5-dimethylpyrazol-1-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide

C16H23N3O3 — CID 111520095

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide
SMILESCc1cc(C)n(C(C)C(=O)NCC(C)(O)c2ccc(C)o2)n1
InChIInChI=1S/C16H23N3O3/c1-10-8-11(2)19(18-10)13(4)15(20)17-9-16(5,21)14-7-6-12(3)22-14/h6-8,13,21H,9H2,1-5H3,(H,17,20)
InChIKeyUKBIVSNTELTIRJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.99
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide

2-(3,5-dimethylpyrazol-1-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide (PubChem CID 111520095) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide
PubChem CID111520095
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide
SMILESCc1cc(C)n(C(C)C(=O)NCC(C)(O)c2ccc(C)o2)n1
InChIInChI=1S/C16H23N3O3/c1-10-8-11(2)19(18-10)13(4)15(20)17-9-16(5,21)14-7-6-12(3)22-14/h6-8,13,21H,9H2,1-5H3,(H,17,20)
InChIKeyUKBIVSNTELTIRJ-UHFFFAOYSA-N
XLogP1.99
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 96521441
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpentanamide
CID 111481295
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
CID 47986094
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide
CID 126814841
2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
CID 131134395
(2R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpropanamide
CID 97071169
(2S)-N-(2-anilinoethyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 95980716
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111481168
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 111481297
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylbut-2-enamide
CID 111912236
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide
CID 111481021
N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methylbut-2-enamide
CID 96567216

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide (CID 111520095) is 2-(3,5-dimethylpyrazol-1-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide is Cc1cc(C)n(C(C)C(=O)NCC(C)(O)c2ccc(C)o2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide?
The InChIKey is UKBIVSNTELTIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10-8-11(2)19(18-10)13(4)15(20)17-9-16(5,21)14-7-6-12(3)22-14/h6-8,13,21H,9H2,1-5H3,(H,17,20).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide has a molecular weight of 305.38 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide is sourced from PubChem (CID 111520095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).