N-methyl-N'-propyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine

C13H18F3N5 — CID 104733689

IUPACN-methyl-N'-propyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine
SMILESCCCN(CCNC)c1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C13H18F3N5/c1-3-6-20(7-4-17-2)12-10-9-11(13(14,15)16)19-21(10)8-5-18-12/h5,8-9,17H,3-4,6-7H2,1-2H3
InChIKeyGSNUYVDKRKMBBV-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.18
Rot. Bonds6

About N-methyl-N'-propyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine

N-methyl-N'-propyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine (PubChem CID 104733689) has the molecular formula C13H18F3N5 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-methyl-N'-propyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-propyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine
PubChem CID104733689
Molecular FormulaC13H18F3N5
Molecular Weight301.32 g/mol
Exact Mass301.15
IUPAC NameN-methyl-N'-propyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine
SMILESCCCN(CCNC)c1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C13H18F3N5/c1-3-6-20(7-4-17-2)12-10-9-11(13(14,15)16)19-21(10)8-5-18-12/h5,8-9,17H,3-4,6-7H2,1-2H3
InChIKeyGSNUYVDKRKMBBV-UHFFFAOYSA-N
XLogP2.18
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloroethyl)-N-ethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446611
N',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine
CID 104731247
N-(1-bromopropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446668
N-(2-butoxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730942
N-(5-methylhexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731951
N-(2-bromoethyl)-2-methyl-N-propylpyrazolo[1,5-a]pyrazin-4-amine
CID 104734102
N'-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propylethane-1,2-diamine
CID 104734207
N'-cyclopropyl-N'-methyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine
CID 104731399
3-[methyl-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanenitrile
CID 104729975
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-ethylamino]propanoic acid
CID 104729406
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine
CID 104730897
N-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730934

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-propyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-propyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine (CID 104733689) is N-methyl-N'-propyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-propyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-propyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine is CCCN(CCNC)c1nccn2nc(C(F)(F)F)cc12.
What is the InChIKey of N-methyl-N'-propyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine?
The InChIKey is GSNUYVDKRKMBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5/c1-3-6-20(7-4-17-2)12-10-9-11(13(14,15)16)19-21(10)8-5-18-12/h5,8-9,17H,3-4,6-7H2,1-2H3.
What are the key properties of N-methyl-N'-propyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine?
N-methyl-N'-propyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine has a molecular weight of 301.32 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-propyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 104733689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).