(4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine

C13H14BrF2N3 — CID 115857764

IUPAC(4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1c(F)cc(Br)cc1F
InChIInChI=1S/C13H14BrF2N3/c1-2-5-19-11(3-4-18-19)13(17)12-9(15)6-8(14)7-10(12)16/h3-4,6-7,13H,2,5,17H2,1H3
InChIKeyJQHZTWUSKCYDBF-UHFFFAOYSA-N
MW330.18 g/mol
LogP3.38
Rot. Bonds4

About (4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine

(4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine (PubChem CID 115857764) has the molecular formula C13H14BrF2N3 and a molecular weight of 330.18 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
PubChem CID115857764
Molecular FormulaC13H14BrF2N3
Molecular Weight330.18 g/mol
Exact Mass329.03
IUPAC Name(4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1c(F)cc(Br)cc1F
InChIInChI=1S/C13H14BrF2N3/c1-2-5-19-11(3-4-18-19)13(17)12-9(15)6-8(14)7-10(12)16/h3-4,6-7,13H,2,5,17H2,1H3
InChIKeyJQHZTWUSKCYDBF-UHFFFAOYSA-N
XLogP3.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977003
(4-bromo-2,6-difluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanamine
CID 105041548
(5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857762
(2-propylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115857397
(6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine
CID 115857744
(2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 79522981
(2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977040
2-(4-bromo-2-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 114556932
(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 107968266
(3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 66426059
(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 105148079
(2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 106692049

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine (CID 115857764) is (4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1C(N)c1c(F)cc(Br)cc1F.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is JQHZTWUSKCYDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF2N3/c1-2-5-19-11(3-4-18-19)13(17)12-9(15)6-8(14)7-10(12)16/h3-4,6-7,13H,2,5,17H2,1H3.
What are the key properties of (4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine?
(4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine has a molecular weight of 330.18 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 115857764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).