N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine

C15H20BrFN4 — CID 114659398

IUPACN-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1F)c1c(Br)cnn1C(C)C
InChIInChI=1S/C15H20BrFN4/c1-4-6-19-14(11-5-7-18-9-13(11)17)15-12(16)8-20-21(15)10(2)3/h5,7-10,14,19H,4,6H2,1-3H3
InChIKeyCWDHBNAXTHIOFG-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.85
Rot. Bonds6

About N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine

N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine (PubChem CID 114659398) has the molecular formula C15H20BrFN4 and a molecular weight of 355.26 g/mol. Its IUPAC name is N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
PubChem CID114659398
Molecular FormulaC15H20BrFN4
Molecular Weight355.26 g/mol
Exact Mass354.09
IUPAC NameN-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1F)c1c(Br)cnn1C(C)C
InChIInChI=1S/C15H20BrFN4/c1-4-6-19-14(11-5-7-18-9-13(11)17)15-12(16)8-20-21(15)10(2)3/h5,7-10,14,19H,4,6H2,1-3H3
InChIKeyCWDHBNAXTHIOFG-UHFFFAOYSA-N
XLogP3.85
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chlorophenyl)methyl]propan-1-amine
CID 114646362
N-[(3-fluoro-4-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114659387
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 114646986
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 114651120
N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 113447223
N-[(2-bromo-4-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038165
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methyl]propan-1-amine
CID 114659833
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 114659314
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105183873
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]propan-1-amine
CID 114658484
N-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 113447225
N-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine
CID 105038327

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine (CID 114659398) is N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine is CCCNC(c1ccncc1F)c1c(Br)cnn1C(C)C.
What is the InChIKey of N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine?
The InChIKey is CWDHBNAXTHIOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN4/c1-4-6-19-14(11-5-7-18-9-13(11)17)15-12(16)8-20-21(15)10(2)3/h5,7-10,14,19H,4,6H2,1-3H3.
What are the key properties of N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine?
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine has a molecular weight of 355.26 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 114659398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).