N-[[3-(2,5-difluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine

C12H13F2N3 — CID 62112347

IUPACN-[[3-(2,5-difluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
SMILESCCNCc1cc(-c2cc(F)ccc2F)n[nH]1
InChIInChI=1S/C12H13F2N3/c1-2-15-7-9-6-12(17-16-9)10-5-8(13)3-4-11(10)14/h3-6,15H,2,7H2,1H3,(H,16,17)
InChIKeyHJIXQDURWFYGCA-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.46
Rot. Bonds4

About N-[[3-(2,5-difluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine

N-[[3-(2,5-difluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine (PubChem CID 62112347) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-[[3-(2,5-difluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2,5-difluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
PubChem CID62112347
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC NameN-[[3-(2,5-difluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
SMILESCCNCc1cc(-c2cc(F)ccc2F)n[nH]1
InChIInChI=1S/C12H13F2N3/c1-2-15-7-9-6-12(17-16-9)10-5-8(13)3-4-11(10)14/h3-6,15H,2,7H2,1H3,(H,16,17)
InChIKeyHJIXQDURWFYGCA-UHFFFAOYSA-N
XLogP2.46
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-(5-propyl-1H-pyrazol-3-yl)phenol
CID 145330919
N-[[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 55035889
N-[[3-(5-bromo-2-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-1-amine
CID 82972817
N-[[3-(2-phenylmethoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 54847351
N-[[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 54847214
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]ethanamine
CID 54847144
N-[[2-(2,5-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841371
3-(5-ethyl-2-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117340012
5-fluoro-2-(5-methyl-1H-pyrazol-3-yl)phenol
CID 174707193
N-[(6-fluoro-1H-indol-2-yl)methyl]ethanamine
CID 117180302
5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide
CID 156574677

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,5-difluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2,5-difluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine (CID 62112347) is N-[[3-(2,5-difluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2,5-difluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2,5-difluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine is CCNCc1cc(-c2cc(F)ccc2F)n[nH]1.
What is the InChIKey of N-[[3-(2,5-difluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine?
The InChIKey is HJIXQDURWFYGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-2-15-7-9-6-12(17-16-9)10-5-8(13)3-4-11(10)14/h3-6,15H,2,7H2,1H3,(H,16,17).
What are the key properties of N-[[3-(2,5-difluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine?
N-[[3-(2,5-difluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine has a molecular weight of 237.25 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,5-difluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62112347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).