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

C14H18FN3 — CID 62730873

IUPACN-ethyl-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
SMILESCCNC(C)c1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C14H18FN3/c1-3-16-11(2)13-8-17-18(10-13)9-12-6-4-5-7-14(12)15/h4-8,10-11,16H,3,9H2,1-2H3
InChIKeyHDZXUSXBIFJPDO-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.74
Rot. Bonds5

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

N-ethyl-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine (PubChem CID 62730873) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N-ethyl-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
PubChem CID62730873
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-ethyl-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
SMILESCCNC(C)c1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C14H18FN3/c1-3-16-11(2)13-8-17-18(10-13)9-12-6-4-5-7-14(12)15/h4-8,10-11,16H,3,9H2,1-2H3
InChIKeyHDZXUSXBIFJPDO-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine (CID 62730873) is N-ethyl-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine is CCNC(C)c1cnn(Cc2ccccc2F)c1.
What is the InChIKey of N-ethyl-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine?
The InChIKey is HDZXUSXBIFJPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-16-11(2)13-8-17-18(10-13)9-12-6-4-5-7-14(12)15/h4-8,10-11,16H,3,9H2,1-2H3.
What are the key properties of N-ethyl-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine?
N-ethyl-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine has a molecular weight of 247.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine is sourced from PubChem (CID 62730873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).