2-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine

C16H21F2N3 — CID 82926189

IUPAC2-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine
SMILESCCc1nn(Cc2ccc(F)c(F)c2)c(CC)c1CCN
InChIInChI=1S/C16H21F2N3/c1-3-15-12(7-8-19)16(4-2)21(20-15)10-11-5-6-13(17)14(18)9-11/h5-6,9H,3-4,7-8,10,19H2,1-2H3
InChIKeyIGLGQNVEOPTHCM-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.84
Rot. Bonds6

About 2-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine

2-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine (PubChem CID 82926189) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine
PubChem CID82926189
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC Name2-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine
SMILESCCc1nn(Cc2ccc(F)c(F)c2)c(CC)c1CCN
InChIInChI=1S/C16H21F2N3/c1-3-15-12(7-8-19)16(4-2)21(20-15)10-11-5-6-13(17)14(18)9-11/h5-6,9H,3-4,7-8,10,19H2,1-2H3
InChIKeyIGLGQNVEOPTHCM-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine (CID 82926189) is 2-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine is CCc1nn(Cc2ccc(F)c(F)c2)c(CC)c1CCN.
What is the InChIKey of 2-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine?
The InChIKey is IGLGQNVEOPTHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-3-15-12(7-8-19)16(4-2)21(20-15)10-11-5-6-13(17)14(18)9-11/h5-6,9H,3-4,7-8,10,19H2,1-2H3.
What are the key properties of 2-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine?
2-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine has a molecular weight of 293.36 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,4-difluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 82926189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).