1-(3,4-difluorophenyl)-3-(1-ethylpyrazol-4-yl)-N-methylpropan-2-amine

C15H19F2N3 — CID 115822649

IUPAC1-(3,4-difluorophenyl)-3-(1-ethylpyrazol-4-yl)-N-methylpropan-2-amine
SMILESCCn1cc(CC(Cc2ccc(F)c(F)c2)NC)cn1
InChIInChI=1S/C15H19F2N3/c1-3-20-10-12(9-19-20)7-13(18-2)6-11-4-5-14(16)15(17)8-11/h4-5,8-10,13,18H,3,6-7H2,1-2H3
InChIKeyBMILORXVQUNKQL-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.55
Rot. Bonds6

About 1-(3,4-difluorophenyl)-3-(1-ethylpyrazol-4-yl)-N-methylpropan-2-amine

1-(3,4-difluorophenyl)-3-(1-ethylpyrazol-4-yl)-N-methylpropan-2-amine (PubChem CID 115822649) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(1-ethylpyrazol-4-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(1-ethylpyrazol-4-yl)-N-methylpropan-2-amine
PubChem CID115822649
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name1-(3,4-difluorophenyl)-3-(1-ethylpyrazol-4-yl)-N-methylpropan-2-amine
SMILESCCn1cc(CC(Cc2ccc(F)c(F)c2)NC)cn1
InChIInChI=1S/C15H19F2N3/c1-3-20-10-12(9-19-20)7-13(18-2)6-11-4-5-14(16)15(17)8-11/h4-5,8-10,13,18H,3,6-7H2,1-2H3
InChIKeyBMILORXVQUNKQL-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine
CID 55041100
1-(1-ethylpyrazol-4-yl)-N-methyl-3-phenoxypropan-2-amine
CID 62715334
1-(2-bromo-3,4-difluorophenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 107539079
1-(3,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 105025553
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 62126626
1-(3,4-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105175964
1-(3,4-difluorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103031007
1-(3,4-difluorophenyl)-N-methylpent-4-yn-2-amine
CID 114977659
1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 62126268
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 63024204
1-(4-bromo-2,6-difluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 115780560
1-(3,4-difluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 82923060

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(1-ethylpyrazol-4-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(1-ethylpyrazol-4-yl)-N-methylpropan-2-amine (CID 115822649) is 1-(3,4-difluorophenyl)-3-(1-ethylpyrazol-4-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(1-ethylpyrazol-4-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(1-ethylpyrazol-4-yl)-N-methylpropan-2-amine is CCn1cc(CC(Cc2ccc(F)c(F)c2)NC)cn1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(1-ethylpyrazol-4-yl)-N-methylpropan-2-amine?
The InChIKey is BMILORXVQUNKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-3-20-10-12(9-19-20)7-13(18-2)6-11-4-5-14(16)15(17)8-11/h4-5,8-10,13,18H,3,6-7H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-(1-ethylpyrazol-4-yl)-N-methylpropan-2-amine?
1-(3,4-difluorophenyl)-3-(1-ethylpyrazol-4-yl)-N-methylpropan-2-amine has a molecular weight of 279.33 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(1-ethylpyrazol-4-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 115822649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).