N-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-amine

C12H14F3N5 — CID 104732778

IUPACN-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-amine
SMILESCNC1CCN(c2nccn3nc(C(F)(F)F)cc23)C1
InChIInChI=1S/C12H14F3N5/c1-16-8-2-4-19(7-8)11-9-6-10(12(13,14)15)18-20(9)5-3-17-11/h3,5-6,8,16H,2,4,7H2,1H3
InChIKeyNQBDBFJBLZJWKF-UHFFFAOYSA-N
MW285.27 g/mol
LogP1.55
Rot. Bonds2

About N-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-amine

N-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-amine (PubChem CID 104732778) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-amine
PubChem CID104732778
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC NameN-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-amine
SMILESCNC1CCN(c2nccn3nc(C(F)(F)F)cc23)C1
InChIInChI=1S/C12H14F3N5/c1-16-8-2-4-19(7-8)11-9-6-10(12(13,14)15)18-20(9)5-3-17-11/h3,5-6,8,16H,2,4,7H2,1H3
InChIKeyNQBDBFJBLZJWKF-UHFFFAOYSA-N
XLogP1.55
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-ol
CID 104892889
(3S)-1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol
CID 104892904
6-methyl-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-2-one
CID 139019410
N-cyclopentyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730383
2-tert-butyl-4-[(3S)-3-methylpiperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 104977429
[3-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-2-yl]methanol
CID 102787102
N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730545
4-(2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 104732607
1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-4-methylpiperidin-4-ol
CID 104733153
4-(3-chloropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine
CID 104733876
N-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]acetamide
CID 133489997
N'-cyclopropyl-N'-methyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine
CID 104731399

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-amine (CID 104732778) is N-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-amine is CNC1CCN(c2nccn3nc(C(F)(F)F)cc23)C1.
What is the InChIKey of N-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-amine?
The InChIKey is NQBDBFJBLZJWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-16-8-2-4-19(7-8)11-9-6-10(12(13,14)15)18-20(9)5-3-17-11/h3,5-6,8,16H,2,4,7H2,1H3.
What are the key properties of N-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-amine?
N-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-amine has a molecular weight of 285.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-amine is sourced from PubChem (CID 104732778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).