(4-tert-butylphenyl)-(3,5-dimethylpyrazol-1-yl)methanone

C16H20N2O — CID 674649

IUPAC(4-tert-butylphenyl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C16H20N2O/c1-11-10-12(2)18(17-11)15(19)13-6-8-14(9-7-13)16(3,4)5/h6-10H,1-5H3
InChIKeyYUHDJMKWOVCHOR-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.49
Rot. Bonds1

About (4-tert-butylphenyl)-(3,5-dimethylpyrazol-1-yl)methanone

(4-tert-butylphenyl)-(3,5-dimethylpyrazol-1-yl)methanone (PubChem CID 674649) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(3,5-dimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(3,5-dimethylpyrazol-1-yl)methanone
PubChem CID674649
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(4-tert-butylphenyl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C16H20N2O/c1-11-10-12(2)18(17-11)15(19)13-6-8-14(9-7-13)16(3,4)5/h6-10H,1-5H3
InChIKeyYUHDJMKWOVCHOR-UHFFFAOYSA-N
XLogP3.49
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(3,5-dimethylpyrazol-1-yl)methanone (CID 674649) is (4-tert-butylphenyl)-(3,5-dimethylpyrazol-1-yl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(3,5-dimethylpyrazol-1-yl)methanone is Cc1cc(C)n(C(=O)c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of (4-tert-butylphenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
The InChIKey is YUHDJMKWOVCHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-10-12(2)18(17-11)15(19)13-6-8-14(9-7-13)16(3,4)5/h6-10H,1-5H3.
What are the key properties of (4-tert-butylphenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
(4-tert-butylphenyl)-(3,5-dimethylpyrazol-1-yl)methanone has a molecular weight of 256.35 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(3,5-dimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 674649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).