N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine

C14H18FN3 — CID 61273138

IUPACN-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
SMILESCCNC(C)c1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C14H18FN3/c1-4-16-10(2)14-9-17-18(11(14)3)13-7-5-12(15)6-8-13/h5-10,16H,4H2,1-3H3
InChIKeyCRBNBSUNDVULBW-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.99
Rot. Bonds4

About N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine

N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine (PubChem CID 61273138) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
PubChem CID61273138
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
SMILESCCNC(C)c1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C14H18FN3/c1-4-16-10(2)14-9-17-18(11(14)3)13-7-5-12(15)6-8-13/h5-10,16H,4H2,1-3H3
InChIKeyCRBNBSUNDVULBW-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.99
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-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine (CID 61273138) is N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine is CCNC(C)c1cnn(-c2ccc(F)cc2)c1C.
What is the InChIKey of N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine?
The InChIKey is CRBNBSUNDVULBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-4-16-10(2)14-9-17-18(11(14)3)13-7-5-12(15)6-8-13/h5-10,16H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine?
N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine has a molecular weight of 247.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 61273138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).