1-(1-butan-2-ylpyrazol-3-yl)-3-(2,4-difluorophenyl)propan-2-amine

C16H21F2N3 — CID 64779610

IUPAC1-(1-butan-2-ylpyrazol-3-yl)-3-(2,4-difluorophenyl)propan-2-amine
SMILESCCC(C)n1ccc(CC(N)Cc2ccc(F)cc2F)n1
InChIInChI=1S/C16H21F2N3/c1-3-11(2)21-7-6-15(20-21)10-14(19)8-12-4-5-13(17)9-16(12)18/h4-7,9,11,14H,3,8,10,19H2,1-2H3
InChIKeyOLRFDROBKWICHQ-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.24
Rot. Bonds6

About 1-(1-butan-2-ylpyrazol-3-yl)-3-(2,4-difluorophenyl)propan-2-amine

1-(1-butan-2-ylpyrazol-3-yl)-3-(2,4-difluorophenyl)propan-2-amine (PubChem CID 64779610) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-(1-butan-2-ylpyrazol-3-yl)-3-(2,4-difluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)-3-(2,4-difluorophenyl)propan-2-amine
PubChem CID64779610
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)-3-(2,4-difluorophenyl)propan-2-amine
SMILESCCC(C)n1ccc(CC(N)Cc2ccc(F)cc2F)n1
InChIInChI=1S/C16H21F2N3/c1-3-11(2)21-7-6-15(20-21)10-14(19)8-12-4-5-13(17)9-16(12)18/h4-7,9,11,14H,3,8,10,19H2,1-2H3
InChIKeyOLRFDROBKWICHQ-UHFFFAOYSA-N
XLogP3.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-butan-2-ylpyrazol-3-yl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 64777248
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
1-(1-butan-2-ylpyrazol-3-yl)-3-(3-fluorophenyl)sulfanylpropan-2-amine
CID 66072725
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,4,6-trifluorophenyl)ethanol
CID 115806450
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 64785243
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
1-(1-butan-2-ylpyrazol-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135172
[1-(2-bromo-4-fluorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312566
1-(1-butan-2-ylpyrazol-3-yl)-3-(4-fluorophenyl)propan-2-ol
CID 64783184
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 64779066
1-(1-butan-2-ylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312016
2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923492

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-(2,4-difluorophenyl)propan-2-amine?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-(2,4-difluorophenyl)propan-2-amine (CID 64779610) is 1-(1-butan-2-ylpyrazol-3-yl)-3-(2,4-difluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)-3-(2,4-difluorophenyl)propan-2-amine?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)-3-(2,4-difluorophenyl)propan-2-amine is CCC(C)n1ccc(CC(N)Cc2ccc(F)cc2F)n1.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)-3-(2,4-difluorophenyl)propan-2-amine?
The InChIKey is OLRFDROBKWICHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-3-11(2)21-7-6-15(20-21)10-14(19)8-12-4-5-13(17)9-16(12)18/h4-7,9,11,14H,3,8,10,19H2,1-2H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)-3-(2,4-difluorophenyl)propan-2-amine?
1-(1-butan-2-ylpyrazol-3-yl)-3-(2,4-difluorophenyl)propan-2-amine has a molecular weight of 293.36 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-ylpyrazol-3-yl)-3-(2,4-difluorophenyl)propan-2-amine is sourced from PubChem (CID 64779610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).