5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine

C13H14ClF3N4 — CID 66016365

IUPAC5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(Nc2cc(C(F)(F)F)ccc2Cl)c1N
InChIInChI=1S/C13H14ClF3N4/c1-3-9-11(18)12(21(2)20-9)19-10-6-7(13(15,16)17)4-5-8(10)14/h4-6,19H,3,18H2,1-2H3
InChIKeyBDJVGOYRJZBRAO-UHFFFAOYSA-N
MW318.73 g/mol
LogP3.98
Rot. Bonds3

About 5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine

5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine (PubChem CID 66016365) has the molecular formula C13H14ClF3N4 and a molecular weight of 318.73 g/mol. Its IUPAC name is 5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine
PubChem CID66016365
Molecular FormulaC13H14ClF3N4
Molecular Weight318.73 g/mol
Exact Mass318.09
IUPAC Name5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(Nc2cc(C(F)(F)F)ccc2Cl)c1N
InChIInChI=1S/C13H14ClF3N4/c1-3-9-11(18)12(21(2)20-9)19-10-6-7(13(15,16)17)4-5-8(10)14/h4-6,19H,3,18H2,1-2H3
InChIKeyBDJVGOYRJZBRAO-UHFFFAOYSA-N
XLogP3.98
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.73
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(2,5-dichlorophenyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66018253
5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66015575
5-N-(3-chloro-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66015168
3-ethyl-1-methyl-5-N-[4-(trifluoromethoxy)phenyl]pyrazole-4,5-diamine
CID 66015577
5-N-[2-chloro-4-(trifluoromethyl)phenyl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66010914
4-N-butan-2-yl-6-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541308
4-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-3-bromobenzonitrile
CID 107787194
6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine
CID 63735092
6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 22541138
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine
CID 2060249
4-chloro-1-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 29067093
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
CID 22541281

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine (CID 66016365) is 5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine is CCc1nn(C)c(Nc2cc(C(F)(F)F)ccc2Cl)c1N.
What is the InChIKey of 5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
The InChIKey is BDJVGOYRJZBRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N4/c1-3-9-11(18)12(21(2)20-9)19-10-6-7(13(15,16)17)4-5-8(10)14/h4-6,19H,3,18H2,1-2H3.
What are the key properties of 5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine has a molecular weight of 318.73 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-ethyl-1-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66016365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).