2-(3,5-difluorophenyl)-1-(2-propylpyrazol-3-yl)ethanamine

C14H17F2N3 — CID 63977023

IUPAC2-(3,5-difluorophenyl)-1-(2-propylpyrazol-3-yl)ethanamine
SMILESCCCn1nccc1C(N)Cc1cc(F)cc(F)c1
InChIInChI=1S/C14H17F2N3/c1-2-5-19-14(3-4-18-19)13(17)8-10-6-11(15)9-12(16)7-10/h3-4,6-7,9,13H,2,5,8,17H2,1H3
InChIKeyOJOKCZXFLRUOAM-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.81
Rot. Bonds5

About 2-(3,5-difluorophenyl)-1-(2-propylpyrazol-3-yl)ethanamine

2-(3,5-difluorophenyl)-1-(2-propylpyrazol-3-yl)ethanamine (PubChem CID 63977023) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(2-propylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(2-propylpyrazol-3-yl)ethanamine
PubChem CID63977023
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(3,5-difluorophenyl)-1-(2-propylpyrazol-3-yl)ethanamine
SMILESCCCn1nccc1C(N)Cc1cc(F)cc(F)c1
InChIInChI=1S/C14H17F2N3/c1-2-5-19-14(3-4-18-19)13(17)8-10-6-11(15)9-12(16)7-10/h3-4,6-7,9,13H,2,5,8,17H2,1H3
InChIKeyOJOKCZXFLRUOAM-UHFFFAOYSA-N
XLogP2.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanamine
CID 63974244
1-(2-propylpyrazol-3-yl)hexan-1-amine
CID 115857677
(1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 104941104
4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 79952578
2-methoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63974690
(2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977040
(3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977003
(4-bromo-2,6-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857764
2,2-dimethyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975935
2-(4-bromo-2-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 114556932
methyl (3R)-3-amino-3-(2-propylpyrazol-3-yl)propanoate
CID 104939468
(2-propylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115857397

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(2-propylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(2-propylpyrazol-3-yl)ethanamine (CID 63977023) is 2-(3,5-difluorophenyl)-1-(2-propylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(2-propylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(2-propylpyrazol-3-yl)ethanamine is CCCn1nccc1C(N)Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(2-propylpyrazol-3-yl)ethanamine?
The InChIKey is OJOKCZXFLRUOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-2-5-19-14(3-4-18-19)13(17)8-10-6-11(15)9-12(16)7-10/h3-4,6-7,9,13H,2,5,8,17H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(2-propylpyrazol-3-yl)ethanamine?
2-(3,5-difluorophenyl)-1-(2-propylpyrazol-3-yl)ethanamine has a molecular weight of 265.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(2-propylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 63977023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).