3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine

C13H15BrFN3 — CID 79405825

IUPAC3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine
SMILESCCCc1c(-c2ccc(Br)cc2F)nn(C)c1N
InChIInChI=1S/C13H15BrFN3/c1-3-4-10-12(17-18(2)13(10)16)9-6-5-8(14)7-11(9)15/h5-7H,3-4,16H2,1-2H3
InChIKeyHQKFNRUAMUSBBL-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.52
Rot. Bonds3

About 3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine

3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine (PubChem CID 79405825) has the molecular formula C13H15BrFN3 and a molecular weight of 312.19 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine
PubChem CID79405825
Molecular FormulaC13H15BrFN3
Molecular Weight312.19 g/mol
Exact Mass311.04
IUPAC Name3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine
SMILESCCCc1c(-c2ccc(Br)cc2F)nn(C)c1N
InChIInChI=1S/C13H15BrFN3/c1-3-4-10-12(17-18(2)13(10)16)9-6-5-8(14)7-11(9)15/h5-7H,3-4,16H2,1-2H3
InChIKeyHQKFNRUAMUSBBL-UHFFFAOYSA-N
XLogP3.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-3-phenyl-1H-pyrazol-5-amine
CID 517779
1,3-Dimethyl-4-phenyl-1H-pyrazol-5-amine
CID 1502824
1-Methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 2740916
2-Benzyl-5-(4-bromophenyl)pyrazol-3-amine
CID 693933
3-(4-Fluorophenyl)-1-methyl-1H-pyrazol-5-amine
CID 6483872
Pyrazol-5-amine, 1-benzyl-3-(3-bromophenyl)-
CID 563996
3-(3,5-Difluorophenyl)-1-methyl-1H-pyrazol-5-amine
CID 43158892
1-methyl-5-phenyl-1H-pyrazol-3-amine
CID 5324081
5-(4-fluorophenyl)-1-methyl-1H-pyrazol-3-amine
CID 14176099
1-Methyl-3-(p-tolyl)-1H-pyrazol-5-amine
CID 21724033
5-(4-Bromophenyl)-2-methyl-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 12005120
3-Ethyl-4-(4-fluorophenyl)-1-methyl-1H-pyrazol-5-amine
CID 16606839

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine (CID 79405825) is 3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine is CCCc1c(-c2ccc(Br)cc2F)nn(C)c1N.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine?
The InChIKey is HQKFNRUAMUSBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3/c1-3-4-10-12(17-18(2)13(10)16)9-6-5-8(14)7-11(9)15/h5-7H,3-4,16H2,1-2H3.
What are the key properties of 3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine?
3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine has a molecular weight of 312.19 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine is sourced from PubChem (CID 79405825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).