(4-bromo-2-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone

C14H15BrN2O — CID 114197562

IUPAC(4-bromo-2-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone
SMILESCc1cc(Br)ccc1C(=O)c1ccnn1C(C)C
InChIInChI=1S/C14H15BrN2O/c1-9(2)17-13(6-7-16-17)14(18)12-5-4-11(15)8-10(12)3/h4-9H,1-3H3
InChIKeyMXODEJBVVRRXSI-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.77
Rot. Bonds3

About (4-bromo-2-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone

(4-bromo-2-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 114197562) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone
PubChem CID114197562
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name(4-bromo-2-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone
SMILESCc1cc(Br)ccc1C(=O)c1ccnn1C(C)C
InChIInChI=1S/C14H15BrN2O/c1-9(2)17-13(6-7-16-17)14(18)12-5-4-11(15)8-10(12)3/h4-9H,1-3H3
InChIKeyMXODEJBVVRRXSI-UHFFFAOYSA-N
XLogP3.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-2-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone
CID 114197906
(2-fluoro-4-methoxyphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone
CID 114197549
(2,6-difluoro-3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone
CID 114197932
2-propan-2-ylpyrazole-3-carboxylate
CID 7276397
(4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43629619
(4-bromo-2-methylphenyl)-(2-methylphenyl)methanone
CID 11150419
(2,6-difluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanone
CID 114197545
(4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809747
5-bromo-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 24695142
(4-bromo-2-methylphenyl)-(1,3-thiazol-2-yl)methanone
CID 18405006
(1,3-diethylpyrazol-5-yl)-(2-propan-2-ylpyrazol-3-yl)methanone
CID 114197956
(2-amino-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone
CID 103083606

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of (4-bromo-2-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone (CID 114197562) is (4-bromo-2-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for (4-bromo-2-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone is Cc1cc(Br)ccc1C(=O)c1ccnn1C(C)C.
What is the InChIKey of (4-bromo-2-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is MXODEJBVVRRXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-9(2)17-13(6-7-16-17)14(18)12-5-4-11(15)8-10(12)3/h4-9H,1-3H3.
What are the key properties of (4-bromo-2-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone?
(4-bromo-2-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 307.19 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 114197562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).