(1-phenylpyrazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanone

C17H20N2O2 — CID 65154774

IUPAC(1-phenylpyrazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)c2cnn(-c3ccccc3)c2)C1C
InChIInChI=1S/C17H20N2O2/c1-11-12(2)21-13(3)16(11)17(20)14-9-18-19(10-14)15-7-5-4-6-8-15/h4-13,16H,1-3H3
InChIKeyLJUIESZNQIROFU-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.11
Rot. Bonds3

About (1-phenylpyrazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanone

(1-phenylpyrazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanone (PubChem CID 65154774) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (1-phenylpyrazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(1-phenylpyrazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
PubChem CID65154774
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(1-phenylpyrazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)c2cnn(-c3ccccc3)c2)C1C
InChIInChI=1S/C17H20N2O2/c1-11-12(2)21-13(3)16(11)17(20)14-9-18-19(10-14)15-7-5-4-6-8-15/h4-13,16H,1-3H3
InChIKeyLJUIESZNQIROFU-UHFFFAOYSA-N
XLogP3.11
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-4-methylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 103575963
1-phenylpyrazole-4-carbonyl iodide
CID 130257311
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
2,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 14590777
1-(1-phenylpyrazol-4-yl)butan-1-one
CID 43161927
2-(1-phenylpyrazol-4-yl)but-2-enoic acid
CID 54092453
(1-phenylpyrazol-4-yl)-piperidin-3-ylmethanone
CID 43140089
(Z)-2-fluoro-3-(1-phenylpyrazol-4-yl)but-2-enoic acid
CID 81470345
2-bromo-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 43144160
[(3R)-3-methylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 81426790
4-[bromo-(2,4,5-trimethyloxolan-3-yl)methyl]-1-phenylpyrazole
CID 65157974
4-oxo-4-(1-phenylpyrazol-4-yl)butanoic acid
CID 43322472

Frequently Asked Questions

What is the IUPAC name of (1-phenylpyrazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The IUPAC name of (1-phenylpyrazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanone (CID 65154774) is (1-phenylpyrazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanone.
What is the SMILES notation for (1-phenylpyrazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The canonical SMILES for (1-phenylpyrazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanone is CC1OC(C)C(C(=O)c2cnn(-c3ccccc3)c2)C1C.
What is the InChIKey of (1-phenylpyrazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The InChIKey is LJUIESZNQIROFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-12(2)21-13(3)16(11)17(20)14-9-18-19(10-14)15-7-5-4-6-8-15/h4-13,16H,1-3H3.
What are the key properties of (1-phenylpyrazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanone?
(1-phenylpyrazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpyrazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanone is sourced from PubChem (CID 65154774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).