2-[3-(2,5-difluoro-4-methoxyphenyl)propyl]pyrazol-3-amine

C13H15F2N3O — CID 67052555

IUPAC2-[3-(2,5-difluoro-4-methoxyphenyl)propyl]pyrazol-3-amine
SMILESCOc1cc(F)c(CCCn2nccc2N)cc1F
InChIInChI=1S/C13H15F2N3O/c1-19-12-8-10(14)9(7-11(12)15)3-2-6-18-13(16)4-5-17-18/h4-5,7-8H,2-3,6,16H2,1H3
InChIKeyDSTUYMVNZVLIQG-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.38
Rot. Bonds5

About 2-[3-(2,5-difluoro-4-methoxyphenyl)propyl]pyrazol-3-amine

2-[3-(2,5-difluoro-4-methoxyphenyl)propyl]pyrazol-3-amine (PubChem CID 67052555) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[3-(2,5-difluoro-4-methoxyphenyl)propyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[3-(2,5-difluoro-4-methoxyphenyl)propyl]pyrazol-3-amine
PubChem CID67052555
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[3-(2,5-difluoro-4-methoxyphenyl)propyl]pyrazol-3-amine
SMILESCOc1cc(F)c(CCCn2nccc2N)cc1F
InChIInChI=1S/C13H15F2N3O/c1-19-12-8-10(14)9(7-11(12)15)3-2-6-18-13(16)4-5-17-18/h4-5,7-8H,2-3,6,16H2,1H3
InChIKeyDSTUYMVNZVLIQG-UHFFFAOYSA-N
XLogP2.38
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-difluoro-4-methoxyphenyl)propyl]pyrazol-3-amine?
The IUPAC name of 2-[3-(2,5-difluoro-4-methoxyphenyl)propyl]pyrazol-3-amine (CID 67052555) is 2-[3-(2,5-difluoro-4-methoxyphenyl)propyl]pyrazol-3-amine.
What is the SMILES notation for 2-[3-(2,5-difluoro-4-methoxyphenyl)propyl]pyrazol-3-amine?
The canonical SMILES for 2-[3-(2,5-difluoro-4-methoxyphenyl)propyl]pyrazol-3-amine is COc1cc(F)c(CCCn2nccc2N)cc1F.
What is the InChIKey of 2-[3-(2,5-difluoro-4-methoxyphenyl)propyl]pyrazol-3-amine?
The InChIKey is DSTUYMVNZVLIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-19-12-8-10(14)9(7-11(12)15)3-2-6-18-13(16)4-5-17-18/h4-5,7-8H,2-3,6,16H2,1H3.
What are the key properties of 2-[3-(2,5-difluoro-4-methoxyphenyl)propyl]pyrazol-3-amine?
2-[3-(2,5-difluoro-4-methoxyphenyl)propyl]pyrazol-3-amine has a molecular weight of 267.28 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-difluoro-4-methoxyphenyl)propyl]pyrazol-3-amine is sourced from PubChem (CID 67052555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).