(4-bromo-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanone

C14H15BrN2O2 — CID 115815063

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)c2c(Br)cnn2C)c1
InChIInChI=1S/C14H15BrN2O2/c1-9(2)19-11-6-4-5-10(7-11)14(18)13-12(15)8-16-17(13)3/h4-9H,1-3H3
InChIKeySKQAZMDVDUSNPV-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.20
Rot. Bonds4

About (4-bromo-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanone

(4-bromo-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanone (PubChem CID 115815063) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanone
PubChem CID115815063
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)c2c(Br)cnn2C)c1
InChIInChI=1S/C14H15BrN2O2/c1-9(2)19-11-6-4-5-10(7-11)14(18)13-12(15)8-16-17(13)3/h4-9H,1-3H3
InChIKeySKQAZMDVDUSNPV-UHFFFAOYSA-N
XLogP3.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-bromo-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-1-propylpyrazol-5-yl)-[3-(difluoromethoxy)phenyl]methanone
CID 115804609
(4-amino-3-bromophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
CID 114669784
(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanone
CID 107944669
(4-bromo-1-methylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanone
CID 115814986
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethoxyphenyl)methanone
CID 114638798
(4-bromo-1-methylpyrazol-5-yl)-pyridazin-4-ylmethanone
CID 105135299
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide
CID 19296446
(5-fluoro-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanone
CID 114963628
(3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone
CID 63491128
(3-propan-2-yloxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 63492313
(4-methoxy-1-methylpyrazol-5-yl)-(3-propoxyphenyl)methanone
CID 115809753
(5-bromo-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone
CID 79996537

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanone?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanone (CID 115815063) is (4-bromo-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanone is CC(C)Oc1cccc(C(=O)c2c(Br)cnn2C)c1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanone?
The InChIKey is SKQAZMDVDUSNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9(2)19-11-6-4-5-10(7-11)14(18)13-12(15)8-16-17(13)3/h4-9H,1-3H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanone?
(4-bromo-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanone has a molecular weight of 323.19 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 115815063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).