[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;ethane;propane

C11H21ClF3N3 — CID 142843305

IUPAC[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;ethane;propane
SMILESCC.CCC.Cn1nc(CN)c(Cl)c1C(F)(F)F
InChIInChI=1S/C6H7ClF3N3.C3H8.C2H6/c1-13-5(6(8,9)10)4(7)3(2-11)12-13;1-3-2;1-2/h2,11H2,1H3;3H2,1-2H3;1-2H3
InChIKeyZQVPIRWBDBQBSB-UHFFFAOYSA-N
MW287.76 g/mol
LogP3.99
Rot. Bonds1

About [4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;ethane;propane

[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;ethane;propane (PubChem CID 142843305) has the molecular formula C11H21ClF3N3 and a molecular weight of 287.76 g/mol. Its IUPAC name is [4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;ethane;propane.

Molecular Properties

Compound Name[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;ethane;propane
PubChem CID142843305
Molecular FormulaC11H21ClF3N3
Molecular Weight287.76 g/mol
Exact Mass287.14
IUPAC Name[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;ethane;propane
SMILESCC.CCC.Cn1nc(CN)c(Cl)c1C(F)(F)F
InChIInChI=1S/C6H7ClF3N3.C3H8.C2H6/c1-13-5(6(8,9)10)4(7)3(2-11)12-13;1-3-2;1-2/h2,11H2,1H3;3H2,1-2H3;1-2H3
InChIKeyZQVPIRWBDBQBSB-UHFFFAOYSA-N
XLogP3.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.76
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1,3,5-trimethyl-1 H-pyrazole
CID 13951696
2-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-ethylamine hydrochloride
CID 16192641
2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-amine
CID 6484254
3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanenitrile
CID 7017522
1-[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
CID 71053772
(4-iodo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methanamine hydrochloride
CID 137964091
4-Chloro-1-(difluoromethyl)-3,5-dimethyl-1H-pyrazole
CID 129794178
4-Chloro-1,5-dimethyl-3-(trifluoromethyl)-1h-pyrazole
CID 14770656
4-Chloro-1,3-dimethyl-5-(trifluoromethyl)pyrazole
CID 20616026
[4-Chloro-1,2-di(propan-2-yl)-5-(trifluoromethyl)pyrazol-1-ium-3-yl]methanamine
CID 59826472
3-(azidomethyl)-4-chloro-2-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-2-ium
CID 59826474
4-chloro-3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-2-ium
CID 59826479

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;ethane;propane?
The IUPAC name of [4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;ethane;propane (CID 142843305) is [4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;ethane;propane.
What is the SMILES notation for [4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;ethane;propane?
The canonical SMILES for [4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;ethane;propane is CC.CCC.Cn1nc(CN)c(Cl)c1C(F)(F)F.
What is the InChIKey of [4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;ethane;propane?
The InChIKey is ZQVPIRWBDBQBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF3N3.C3H8.C2H6/c1-13-5(6(8,9)10)4(7)3(2-11)12-13;1-3-2;1-2/h2,11H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of [4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;ethane;propane?
[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;ethane;propane has a molecular weight of 287.76 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;ethane;propane is sourced from PubChem (CID 142843305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).