4-pyridin-4-yl-1-(3,3,3-trifluoropropyl)pyrazol-3-amine

C11H11F3N4 — CID 118970025

IUPAC4-pyridin-4-yl-1-(3,3,3-trifluoropropyl)pyrazol-3-amine
SMILESNc1nn(CCC(F)(F)F)cc1-c1ccncc1
InChIInChI=1S/C11H11F3N4/c12-11(13,14)3-6-18-7-9(10(15)17-18)8-1-4-16-5-2-8/h1-2,4-5,7H,3,6H2,(H2,15,17)
InChIKeyOKEQBXVEVUTUNC-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.48
Rot. Bonds3

About 4-pyridin-4-yl-1-(3,3,3-trifluoropropyl)pyrazol-3-amine

4-pyridin-4-yl-1-(3,3,3-trifluoropropyl)pyrazol-3-amine (PubChem CID 118970025) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 4-pyridin-4-yl-1-(3,3,3-trifluoropropyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-pyridin-4-yl-1-(3,3,3-trifluoropropyl)pyrazol-3-amine
PubChem CID118970025
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name4-pyridin-4-yl-1-(3,3,3-trifluoropropyl)pyrazol-3-amine
SMILESNc1nn(CCC(F)(F)F)cc1-c1ccncc1
InChIInChI=1S/C11H11F3N4/c12-11(13,14)3-6-18-7-9(10(15)17-18)8-1-4-16-5-2-8/h1-2,4-5,7H,3,6H2,(H2,15,17)
InChIKeyOKEQBXVEVUTUNC-UHFFFAOYSA-N
XLogP2.48
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Pyridinylmethyl)-1H-pyrazol-5-amine
CID 1096898
1-benzyl-1H-pyrazol-3-amine
CID 1508616
5-Pyridin-3-yl-2H-pyrazol-3-ylamine
CID 7446899
5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile
CID 12709883
4-methyl-1-(pyridin-3-ylmethyl)-1H-pyrazol-5-amine
CID 1096900
1-(4-Fluorobenzyl)-1H-pyrazol-3-amine
CID 573281
4-(1H-pyrazol-4-yl)pyridine
CID 1417890
3-(1H-pyrazol-4-yl)pyridine
CID 1417907
3-Amino-5-(4-fluorophenyl)-4-(4-pyridyl)pyrazole
CID 15513101
5-Amino-3-(4-fluorophenyl)-1-methyl-4-(4-pyridyl)pyrazole
CID 18674213
1-(2-Fluoro-benzyl)-1H-pyrazol-3-ylamine
CID 3424808
1-(3-fluorobenzyl)-1H-pyrazol-3-amine
CID 6483868

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-1-(3,3,3-trifluoropropyl)pyrazol-3-amine?
The IUPAC name of 4-pyridin-4-yl-1-(3,3,3-trifluoropropyl)pyrazol-3-amine (CID 118970025) is 4-pyridin-4-yl-1-(3,3,3-trifluoropropyl)pyrazol-3-amine.
What is the SMILES notation for 4-pyridin-4-yl-1-(3,3,3-trifluoropropyl)pyrazol-3-amine?
The canonical SMILES for 4-pyridin-4-yl-1-(3,3,3-trifluoropropyl)pyrazol-3-amine is Nc1nn(CCC(F)(F)F)cc1-c1ccncc1.
What is the InChIKey of 4-pyridin-4-yl-1-(3,3,3-trifluoropropyl)pyrazol-3-amine?
The InChIKey is OKEQBXVEVUTUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c12-11(13,14)3-6-18-7-9(10(15)17-18)8-1-4-16-5-2-8/h1-2,4-5,7H,3,6H2,(H2,15,17).
What are the key properties of 4-pyridin-4-yl-1-(3,3,3-trifluoropropyl)pyrazol-3-amine?
4-pyridin-4-yl-1-(3,3,3-trifluoropropyl)pyrazol-3-amine has a molecular weight of 256.23 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-1-(3,3,3-trifluoropropyl)pyrazol-3-amine is sourced from PubChem (CID 118970025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).