N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-fluorophenyl)methyl]ethanamine

C15H20FN3 — CID 105093037

IUPACN-[(3-ethyl-1-methylpyrazol-5-yl)-(3-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1)c1cc(CC)nn1C
InChIInChI=1S/C15H20FN3/c1-4-13-10-14(19(3)18-13)15(17-5-2)11-7-6-8-12(16)9-11/h6-10,15,17H,4-5H2,1-3H3
InChIKeyGJTGPMGPDPDORX-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.82
Rot. Bonds5

About N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-fluorophenyl)methyl]ethanamine

N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-fluorophenyl)methyl]ethanamine (PubChem CID 105093037) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-5-yl)-(3-fluorophenyl)methyl]ethanamine
PubChem CID105093037
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[(3-ethyl-1-methylpyrazol-5-yl)-(3-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1)c1cc(CC)nn1C
InChIInChI=1S/C15H20FN3/c1-4-13-10-14(19(3)18-13)15(17-5-2)11-7-6-8-12(16)9-11/h6-10,15,17H,4-5H2,1-3H3
InChIKeyGJTGPMGPDPDORX-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105145666
N-[(3-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63961805
N-[(4-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105140865
N-[(3-ethyl-1-methylpyrazol-5-yl)-thiophen-2-ylmethyl]ethanamine
CID 105100657
N-[(1,3-dimethylpyrazol-4-yl)-(3-fluorophenyl)methyl]ethanamine
CID 102803011
[(2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105308039
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105188038
[(3-ethyl-1-methylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 105283558
N-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105172877
N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43492851
1-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105142912
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 105078995

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-fluorophenyl)methyl]ethanamine (CID 105093037) is N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-fluorophenyl)methyl]ethanamine is CCNC(c1cccc(F)c1)c1cc(CC)nn1C.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-fluorophenyl)methyl]ethanamine?
The InChIKey is GJTGPMGPDPDORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-4-13-10-14(19(3)18-13)15(17-5-2)11-7-6-8-12(16)9-11/h6-10,15,17H,4-5H2,1-3H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-fluorophenyl)methyl]ethanamine?
N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-fluorophenyl)methyl]ethanamine has a molecular weight of 261.34 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 105093037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).