N-[[1-(3-bromo-4-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine

C14H17BrFN3 — CID 104781888

IUPACN-[[1-(3-bromo-4-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccn(-c2ccc(F)c(Br)c2)n1
InChIInChI=1S/C14H17BrFN3/c1-14(2,3)17-9-10-6-7-19(18-10)11-4-5-13(16)12(15)8-11/h4-8,17H,9H2,1-3H3
InChIKeyBSMMAPFOZXBOJU-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.66
Rot. Bonds3

About N-[[1-(3-bromo-4-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-(3-bromo-4-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 104781888) has the molecular formula C14H17BrFN3 and a molecular weight of 326.21 g/mol. Its IUPAC name is N-[[1-(3-bromo-4-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-bromo-4-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID104781888
Molecular FormulaC14H17BrFN3
Molecular Weight326.21 g/mol
Exact Mass325.06
IUPAC NameN-[[1-(3-bromo-4-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccn(-c2ccc(F)c(Br)c2)n1
InChIInChI=1S/C14H17BrFN3/c1-14(2,3)17-9-10-6-7-19(18-10)11-4-5-13(16)12(15)8-11/h4-8,17H,9H2,1-3H3
InChIKeyBSMMAPFOZXBOJU-UHFFFAOYSA-N
XLogP3.66
TPSA29.85 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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3-chloro-5-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 107370963
N-[[1-(2-bromo-5-methylphenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 82759345
N-[[1-(3-chloro-4-nitrophenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 82866046
N-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62222547
N-[[6-(3-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
CID 83233037
N-[[2-bromo-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114060881
5-chloro-3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyridin-2-amine
CID 139010286
N-[(1-phenylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103714694
N-[[1-(6-bromonaphthalen-2-yl)pyrazol-3-yl]methyl]ethanamine
CID 81259536
N-[[1-(3-fluoro-4-nitrophenyl)pyrazol-3-yl]methyl]propan-1-amine
CID 82844452
2-bromo-5-fluoro-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]benzamide
CID 99637033
N-[[1-(4-bromo-3-methoxyphenyl)pyrazol-3-yl]methyl]propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromo-4-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(3-bromo-4-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine (CID 104781888) is N-[[1-(3-bromo-4-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(3-bromo-4-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(3-bromo-4-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccn(-c2ccc(F)c(Br)c2)n1.
What is the InChIKey of N-[[1-(3-bromo-4-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is BSMMAPFOZXBOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3/c1-14(2,3)17-9-10-6-7-19(18-10)11-4-5-13(16)12(15)8-11/h4-8,17H,9H2,1-3H3.
What are the key properties of N-[[1-(3-bromo-4-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(3-bromo-4-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 326.21 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromo-4-fluorophenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 104781888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).