1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)-N,2-dimethylpropan-1-amine

C15H19BrFN3 — CID 114653131

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)-N,2-dimethylpropan-1-amine
SMILESCNC(c1c(Br)cnn1C)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C15H19BrFN3/c1-15(2,10-5-7-11(17)8-6-10)14(18-3)13-12(16)9-19-20(13)4/h5-9,14,18H,1-4H3
InChIKeyJUGCYJNGSMQUJV-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.56
Rot. Bonds4

About 1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)-N,2-dimethylpropan-1-amine

1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)-N,2-dimethylpropan-1-amine (PubChem CID 114653131) has the molecular formula C15H19BrFN3 and a molecular weight of 340.24 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)-N,2-dimethylpropan-1-amine
PubChem CID114653131
Molecular FormulaC15H19BrFN3
Molecular Weight340.24 g/mol
Exact Mass339.07
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)-N,2-dimethylpropan-1-amine
SMILESCNC(c1c(Br)cnn1C)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C15H19BrFN3/c1-15(2,10-5-7-11(17)8-6-10)14(18-3)13-12(16)9-19-20(13)4/h5-9,14,18H,1-4H3
InChIKeyJUGCYJNGSMQUJV-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)-N,2-dimethylpropan-1-amine 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

1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoro-N-methylpropan-1-amine
CID 130899126
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)-2-methylpropan-1-amine
CID 114653139
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 114661565
1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 114650498
1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 114649394
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 114647443
1-(4-bromo-1-methylpyrazol-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103029500
N-[(4-bromo-1-methylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methyl]propan-2-amine
CID 114657906
1-(4-bromo-1-methylpyrazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 114657995
1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine
CID 130605081
1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 83840801
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 105054025

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)-N,2-dimethylpropan-1-amine (CID 114653131) is 1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)-N,2-dimethylpropan-1-amine is CNC(c1c(Br)cnn1C)C(C)(C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)-N,2-dimethylpropan-1-amine?
The InChIKey is JUGCYJNGSMQUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3/c1-15(2,10-5-7-11(17)8-6-10)14(18-3)13-12(16)9-19-20(13)4/h5-9,14,18H,1-4H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)-N,2-dimethylpropan-1-amine?
1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)-N,2-dimethylpropan-1-amine has a molecular weight of 340.24 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 114653131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).