(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine

C14H17BrFN3 — CID 114659170

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
SMILESCc1cc(F)cc(C(N)c2c(Br)cnn2C(C)C)c1
InChIInChI=1S/C14H17BrFN3/c1-8(2)19-14(12(15)7-18-19)13(17)10-4-9(3)5-11(16)6-10/h4-8,13H,17H2,1-3H3
InChIKeyPFKGMESXBYNBDQ-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.72
Rot. Bonds3

About (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine (PubChem CID 114659170) has the molecular formula C14H17BrFN3 and a molecular weight of 326.21 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
PubChem CID114659170
Molecular FormulaC14H17BrFN3
Molecular Weight326.21 g/mol
Exact Mass325.06
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
SMILESCc1cc(F)cc(C(N)c2c(Br)cnn2C(C)C)c1
InChIInChI=1S/C14H17BrFN3/c1-8(2)19-14(12(15)7-18-19)13(17)10-4-9(3)5-11(16)6-10/h4-8,13H,17H2,1-3H3
InChIKeyPFKGMESXBYNBDQ-UHFFFAOYSA-N
XLogP3.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chloro-5-methylphenyl)methanamine
CID 105042392
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 105042180
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105337018
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105042056
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chlorophenyl)methanamine
CID 114646500
(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)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 105042167
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methanamine
CID 114646764
[(4-bromo-3-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105337024
(3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114646284
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylphenyl)methyl]hydrazine
CID 105200630
(4-bromo-3-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
CID 114637315

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine (CID 114659170) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine is Cc1cc(F)cc(C(N)c2c(Br)cnn2C(C)C)c1.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine?
The InChIKey is PFKGMESXBYNBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3/c1-8(2)19-14(12(15)7-18-19)13(17)10-4-9(3)5-11(16)6-10/h4-8,13H,17H2,1-3H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine has a molecular weight of 326.21 g/mol, XLogP of 3.72, 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)-(3-fluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 114659170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).