N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

C11H12F3N5 — CID 115319990

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1cnn(CCNc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C11H12F3N5/c12-11(13,14)8-1-2-10(17-5-8)16-3-4-19-7-9(15)6-18-19/h1-2,5-7H,3-4,15H2,(H,16,17)
InChIKeyNNGVXQFAFCULGU-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.99
Rot. Bonds4

About N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 115319990) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID115319990
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1cnn(CCNc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C11H12F3N5/c12-11(13,14)8-1-2-10(17-5-8)16-3-4-19-7-9(15)6-18-19/h1-2,5-7H,3-4,15H2,(H,16,17)
InChIKeyNNGVXQFAFCULGU-UHFFFAOYSA-N
XLogP1.99
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
3-Methyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine
CID 735132
1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-amine
CID 7131393
Arylpyrazole, 24
CID 44143424
N-(5-Piperidin-4-Yl-1-Propan-2-Yl-Pyrazol-3-Yl)-4-(Trifluoromethyl)pyridin-2-Amine
CID 91936969
2-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]-3-pyridinylamine
CID 1473015
[2-(1H-Imidazol-4-yl)-ethyl]-(5-trifluoromethyl-pyridin-2-yl)-amine
CID 10083717
N-[(5,5-difluoropiperidin-3-yl)methyl]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-5-amine
CID 68309298
N-((5-(2-(3-(4-(trifluoromethyl)-1H-imidazol-2-yl)-1H-pyrazol-4-yl)vinyl)pyridin-3-yl)methyl)ethanamine
CID 135823061
3-(2-(3-(4-(trifluoromethyl)-1H-imidazol-2-yl)-1H-pyrazol-4-yl)vinyl)pyridine
CID 136104460
4-[1-(azetidin-3-yl)pyrazol-4-yl]-2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 155385428
N-ethyl-4-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-2-amine
CID 46996104

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (CID 115319990) is N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is Nc1cnn(CCNc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NNGVXQFAFCULGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c12-11(13,14)8-1-2-10(17-5-8)16-3-4-19-7-9(15)6-18-19/h1-2,5-7H,3-4,15H2,(H,16,17).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 271.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 115319990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).