(4-tert-butylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone

C16H20N2O2 — CID 115809508

IUPAC(4-tert-butylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
SMILESCOc1cnn(C)c1C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H20N2O2/c1-16(2,3)12-8-6-11(7-9-12)15(19)14-13(20-5)10-17-18(14)4/h6-10H,1-5H3
InChIKeyUEQCIIXWCOUYJX-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.96
Rot. Bonds3

About (4-tert-butylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone

(4-tert-butylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone (PubChem CID 115809508) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
PubChem CID115809508
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(4-tert-butylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
SMILESCOc1cnn(C)c1C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H20N2O2/c1-16(2,3)12-8-6-11(7-9-12)15(19)14-13(20-5)10-17-18(14)4/h6-10H,1-5H3
InChIKeyUEQCIIXWCOUYJX-UHFFFAOYSA-N
XLogP2.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 107996750
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one
CID 114641358
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
(4-methoxy-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanone
CID 115809517
(2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809643
(4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809747
1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105132702
(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114641498
(4-methoxy-1-methylpyrazol-5-yl)-(3-propoxyphenyl)methanone
CID 115809753
(4-chloro-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 115809281
(4-methoxy-1-methylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanone
CID 114641738

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone (CID 115809508) is (4-tert-butylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone is COc1cnn(C)c1C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The InChIKey is UEQCIIXWCOUYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(2,3)12-8-6-11(7-9-12)15(19)14-13(20-5)10-17-18(14)4/h6-10H,1-5H3.
What are the key properties of (4-tert-butylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
(4-tert-butylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 115809508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).