N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine

C12H13F3N4 — CID 115579994

IUPACN-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NCCCn1cccn1
InChIInChI=1S/C12H13F3N4/c13-12(14,15)10-4-1-5-16-11(10)17-6-2-8-19-9-3-7-18-19/h1,3-5,7,9H,2,6,8H2,(H,16,17)
InChIKeyAJAPCZJXQKHVGV-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.80
Rot. Bonds5

About N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine

N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 115579994) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID115579994
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC NameN-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NCCCn1cccn1
InChIInChI=1S/C12H13F3N4/c13-12(14,15)10-4-1-5-16-11(10)17-6-2-8-19-9-3-7-18-19/h1,3-5,7,9H,2,6,8H2,(H,16,17)
InChIKeyAJAPCZJXQKHVGV-UHFFFAOYSA-N
XLogP2.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)aniline
CID 112688168
N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine
CID 103704435
N-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 43443470
5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107302474
6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol
CID 103918216
3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 112684451
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 78863268
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841
2-N,3-N-bis(3-pyrazol-1-ylpropyl)pyrido[2,3-b]pyrazine-2,3-diamine
CID 71853675
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
3-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylic acid
CID 113413256

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine (CID 115579994) is N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccnc1NCCCn1cccn1.
What is the InChIKey of N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is AJAPCZJXQKHVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c13-12(14,15)10-4-1-5-16-11(10)17-6-2-8-19-9-3-7-18-19/h1,3-5,7,9H,2,6,8H2,(H,16,17).
What are the key properties of N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine?
N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 270.26 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 115579994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).