N-ethyl-2-(4-fluorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine

C19H20FN3 — CID 67540192

IUPACN-ethyl-2-(4-fluorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
SMILESCCNCC(c1ccc(F)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H20FN3/c1-2-21-13-19(16-7-9-18(20)10-8-16)15-5-3-14(4-6-15)17-11-22-23-12-17/h3-12,19,21H,2,13H2,1H3,(H,22,23)
InChIKeyMSBDAYIPVOBZBV-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.96
Rot. Bonds6

About N-ethyl-2-(4-fluorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine

N-ethyl-2-(4-fluorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine (PubChem CID 67540192) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
PubChem CID67540192
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC NameN-ethyl-2-(4-fluorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
SMILESCCNCC(c1ccc(F)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H20FN3/c1-2-21-13-19(16-7-9-18(20)10-8-16)15-5-3-14(4-6-15)17-11-22-23-12-17/h3-12,19,21H,2,13H2,1H3,(H,22,23)
InChIKeyMSBDAYIPVOBZBV-UHFFFAOYSA-N
XLogP3.96
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine?
The IUPAC name of N-ethyl-2-(4-fluorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine (CID 67540192) is N-ethyl-2-(4-fluorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-(4-fluorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-(4-fluorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine is CCNCC(c1ccc(F)cc1)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of N-ethyl-2-(4-fluorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine?
The InChIKey is MSBDAYIPVOBZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c1-2-21-13-19(16-7-9-18(20)10-8-16)15-5-3-14(4-6-15)17-11-22-23-12-17/h3-12,19,21H,2,13H2,1H3,(H,22,23).
What are the key properties of N-ethyl-2-(4-fluorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine?
N-ethyl-2-(4-fluorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine has a molecular weight of 309.39 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine is sourced from PubChem (CID 67540192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).