N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine

C14H17F3N4 — CID 78863268

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc(C)n(CCCNc2ncccc2C(F)(F)F)n1
InChIInChI=1S/C14H17F3N4/c1-10-9-11(2)21(20-10)8-4-7-19-13-12(14(15,16)17)5-3-6-18-13/h3,5-6,9H,4,7-8H2,1-2H3,(H,18,19)
InChIKeyYJPJIFSHUPMVOT-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.42
Rot. Bonds5

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 78863268) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID78863268
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc(C)n(CCCNc2ncccc2C(F)(F)F)n1
InChIInChI=1S/C14H17F3N4/c1-10-9-11(2)21(20-10)8-4-7-19-13-12(14(15,16)17)5-3-6-18-13/h3,5-6,9H,4,7-8H2,1-2H3,(H,18,19)
InChIKeyYJPJIFSHUPMVOT-UHFFFAOYSA-N
XLogP3.42
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.42
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)-3-(trifluoromethyl)pyridin-2-amine
CID 115579994
N-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 43443470
N'-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 75409343
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyrazine-2-carbothioamide
CID 114536969
N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine
CID 103704435
2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylpyridine-2,5-diamine
CID 114536155
4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzoic acid
CID 114537305
6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol
CID 103918216
2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-sulfonamide
CID 61217770
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-4-carboxylic acid
CID 115576441
4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-2-carboxylic acid
CID 114537284
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine (CID 78863268) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine is Cc1cc(C)n(CCCNc2ncccc2C(F)(F)F)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YJPJIFSHUPMVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c1-10-9-11(2)21(20-10)8-4-7-19-13-12(14(15,16)17)5-3-6-18-13/h3,5-6,9H,4,7-8H2,1-2H3,(H,18,19).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 298.31 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 78863268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).