(2-bromo-5-methylphenyl)-(2-propylpyrazol-3-yl)methanone

C14H15BrN2O — CID 114972270

IUPAC(2-bromo-5-methylphenyl)-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)c1cc(C)ccc1Br
InChIInChI=1S/C14H15BrN2O/c1-3-8-17-13(6-7-16-17)14(18)11-9-10(2)4-5-12(11)15/h4-7,9H,3,8H2,1-2H3
InChIKeyUGLDMSWEALTPQU-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.60
Rot. Bonds4

About (2-bromo-5-methylphenyl)-(2-propylpyrazol-3-yl)methanone

(2-bromo-5-methylphenyl)-(2-propylpyrazol-3-yl)methanone (PubChem CID 114972270) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(2-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(2-propylpyrazol-3-yl)methanone
PubChem CID114972270
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name(2-bromo-5-methylphenyl)-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)c1cc(C)ccc1Br
InChIInChI=1S/C14H15BrN2O/c1-3-8-17-13(6-7-16-17)14(18)11-9-10(2)4-5-12(11)15/h4-7,9H,3,8H2,1-2H3
InChIKeyUGLDMSWEALTPQU-UHFFFAOYSA-N
XLogP3.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972434
(2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 114972492
(2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114972499
naphthalen-1-yl-(2-propylpyrazol-3-yl)methanone
CID 63976768
2-propylpyrazole-3-carboxylic acid
CID 7017775
(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963931
2-bromo-5-(2-propylpyrazol-3-yl)benzoic acid
CID 114026413
N-(2-fluoro-5-methylphenyl)-2-propylpyrazole-3-carboxamide
CID 35532539
(3-bromo-2-methylphenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972479
2-(4-methylphenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanone
CID 66064578
(2-propylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 63976118
naphthalen-2-yl-(2-propylpyrazol-3-yl)methanone
CID 63976981

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(2-propylpyrazol-3-yl)methanone?
The IUPAC name of (2-bromo-5-methylphenyl)-(2-propylpyrazol-3-yl)methanone (CID 114972270) is (2-bromo-5-methylphenyl)-(2-propylpyrazol-3-yl)methanone.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(2-propylpyrazol-3-yl)methanone?
The canonical SMILES for (2-bromo-5-methylphenyl)-(2-propylpyrazol-3-yl)methanone is CCCn1nccc1C(=O)c1cc(C)ccc1Br.
What is the InChIKey of (2-bromo-5-methylphenyl)-(2-propylpyrazol-3-yl)methanone?
The InChIKey is UGLDMSWEALTPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-3-8-17-13(6-7-16-17)14(18)11-9-10(2)4-5-12(11)15/h4-7,9H,3,8H2,1-2H3.
What are the key properties of (2-bromo-5-methylphenyl)-(2-propylpyrazol-3-yl)methanone?
(2-bromo-5-methylphenyl)-(2-propylpyrazol-3-yl)methanone has a molecular weight of 307.19 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-(2-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 114972270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).