(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methanamine

C14H18BrN3 — CID 114646764

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)c1c(Br)cnn1C(C)C
InChIInChI=1S/C14H18BrN3/c1-9(2)18-14(12(15)8-17-18)13(16)11-7-5-4-6-10(11)3/h4-9,13H,16H2,1-3H3
InChIKeySCVZYCCTEXSTTI-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.58
Rot. Bonds3

About (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methanamine

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methanamine (PubChem CID 114646764) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methanamine
PubChem CID114646764
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)c1c(Br)cnn1C(C)C
InChIInChI=1S/C14H18BrN3/c1-9(2)18-14(12(15)8-17-18)13(16)11-7-5-4-6-10(11)3/h4-9,13H,16H2,1-3H3
InChIKeySCVZYCCTEXSTTI-UHFFFAOYSA-N
XLogP3.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 107985415
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 105042180
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine
CID 105042373
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105042123
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol
CID 114637867
(4-bromo-1-methylpyrazol-5-yl)-(2,3-dimethylphenyl)methanamine
CID 105054313
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chlorophenyl)methanamine
CID 114646500
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methanamine
CID 105043065
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
CID 114659170
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-chlorothiophen-2-yl)methanamine
CID 105042104
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
CID 105042339
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chloro-5-methylphenyl)methanamine
CID 105042392

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methanamine?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methanamine (CID 114646764) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methanamine.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methanamine?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methanamine is Cc1ccccc1C(N)c1c(Br)cnn1C(C)C.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methanamine?
The InChIKey is SCVZYCCTEXSTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-9(2)18-14(12(15)8-17-18)13(16)11-7-5-4-6-10(11)3/h4-9,13H,16H2,1-3H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methanamine?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methanamine has a molecular weight of 308.22 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methanamine is sourced from PubChem (CID 114646764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).