4-N-(3-pyrazol-1-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine

C12H14F3N5 — CID 106748029

IUPAC4-N-(3-pyrazol-1-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESNc1cnc(C(F)(F)F)cc1NCCCn1cccn1
InChIInChI=1S/C12H14F3N5/c13-12(14,15)11-7-10(9(16)8-18-11)17-3-1-5-20-6-2-4-19-20/h2,4,6-8H,1,3,5,16H2,(H,17,18)
InChIKeyKUMSPUZAMVMIQX-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.38
Rot. Bonds5

About 4-N-(3-pyrazol-1-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine

4-N-(3-pyrazol-1-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 106748029) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 4-N-(3-pyrazol-1-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(3-pyrazol-1-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID106748029
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC Name4-N-(3-pyrazol-1-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESNc1cnc(C(F)(F)F)cc1NCCCn1cccn1
InChIInChI=1S/C12H14F3N5/c13-12(14,15)11-7-10(9(16)8-18-11)17-3-1-5-20-6-2-4-19-20/h2,4,6-8H,1,3,5,16H2,(H,17,18)
InChIKeyKUMSPUZAMVMIQX-UHFFFAOYSA-N
XLogP2.38
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-imidazol-1-ylbutyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747604
N-(3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)aniline
CID 112688168
4-iodo-1-N-(3-pyrazol-1-ylpropyl)benzene-1,2-diamine
CID 113412372
4-amino-3-(3-pyrazol-1-ylpropylamino)benzonitrile
CID 104712294
N-(3-pyrazol-1-ylpropyl)pyrazin-2-amine
CID 115580003
4-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106290011
4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747365
4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine
CID 23104821
N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 115579994
6-amino-7-(3-pyrazol-1-ylpropylamino)-3H-quinazolin-4-one
CID 136824777
3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine
CID 113420539
5-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4,4-dimethylpentan-1-ol
CID 106141475

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-pyrazol-1-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(3-pyrazol-1-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine (CID 106748029) is 4-N-(3-pyrazol-1-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(3-pyrazol-1-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(3-pyrazol-1-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine is Nc1cnc(C(F)(F)F)cc1NCCCn1cccn1.
What is the InChIKey of 4-N-(3-pyrazol-1-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is KUMSPUZAMVMIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c13-12(14,15)11-7-10(9(16)8-18-11)17-3-1-5-20-6-2-4-19-20/h2,4,6-8H,1,3,5,16H2,(H,17,18).
What are the key properties of 4-N-(3-pyrazol-1-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-(3-pyrazol-1-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 285.27 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-pyrazol-1-ylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 106748029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).