2-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine

C6H7ClF3N3 — CID 83886119

IUPAC2-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
SMILESNCCc1c(Cl)n[nH]c1C(F)(F)F
InChIInChI=1S/C6H7ClF3N3/c7-5-3(1-2-11)4(12-13-5)6(8,9)10/h1-2,11H2,(H,12,13)
InChIKeyZRYMEJZXTQUQHP-UHFFFAOYSA-N
MW213.59 g/mol
LogP1.58
Rot. Bonds2

About 2-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine

2-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine (PubChem CID 83886119) has the molecular formula C6H7ClF3N3 and a molecular weight of 213.59 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
PubChem CID83886119
Molecular FormulaC6H7ClF3N3
Molecular Weight213.59 g/mol
Exact Mass213.03
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
SMILESNCCc1c(Cl)n[nH]c1C(F)(F)F
InChIInChI=1S/C6H7ClF3N3/c7-5-3(1-2-11)4(12-13-5)6(8,9)10/h1-2,11H2,(H,12,13)
InChIKeyZRYMEJZXTQUQHP-UHFFFAOYSA-N
XLogP1.58
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.59
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
CID 55282490
4-pentyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 70630474
2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine
CID 59173221
2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine
CID 84632127
6-chloro-3-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 115042324
2-[2,5-bis(trifluoromethyl)-1H-indol-3-yl]ethanamine
CID 125457020
5-tert-butyl-3-chloro-1H-pyrazol-4-amine
CID 82411538
4-ethyl-3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 142637004
[3-(trifluoromethyl)-2H-indazol-7-yl]methanamine
CID 105468296
[3-(trifluoromethyl)-2H-indazol-6-yl]methanamine
CID 105468294
[3-(trifluoromethyl)-2H-indazol-4-yl]methanamine
CID 105468291
2,4-dichloro-5-(trifluoromethyl)-1H-imidazole
CID 609238

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine (CID 83886119) is 2-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine is NCCc1c(Cl)n[nH]c1C(F)(F)F.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine?
The InChIKey is ZRYMEJZXTQUQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF3N3/c7-5-3(1-2-11)4(12-13-5)6(8,9)10/h1-2,11H2,(H,12,13).
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine?
2-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine has a molecular weight of 213.59 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine is sourced from PubChem (CID 83886119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).