1-(4,4-difluorobutyl)pyrazol-4-amine

C7H11F2N3 — CID 165472720

IUPAC1-(4,4-difluorobutyl)pyrazol-4-amine
SMILESNc1cnn(CCCC(F)F)c1
InChIInChI=1S/C7H11F2N3/c8-7(9)2-1-3-12-5-6(10)4-11-12/h4-5,7H,1-3,10H2
InChIKeyMDVQFPLBEZPOJG-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.51
Rot. Bonds4

About 1-(4,4-difluorobutyl)pyrazol-4-amine

1-(4,4-difluorobutyl)pyrazol-4-amine (PubChem CID 165472720) has the molecular formula C7H11F2N3 and a molecular weight of 175.18 g/mol. Its IUPAC name is 1-(4,4-difluorobutyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(4,4-difluorobutyl)pyrazol-4-amine
PubChem CID165472720
Molecular FormulaC7H11F2N3
Molecular Weight175.18 g/mol
Exact Mass175.09
IUPAC Name1-(4,4-difluorobutyl)pyrazol-4-amine
SMILESNc1cnn(CCCC(F)F)c1
InChIInChI=1S/C7H11F2N3/c8-7(9)2-1-3-12-5-6(10)4-11-12/h4-5,7H,1-3,10H2
InChIKeyMDVQFPLBEZPOJG-UHFFFAOYSA-N
XLogP1.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,4-difluorobutyl)-4-methylpyrazol-3-amine
CID 165480778
1-(2-propylsulfanylethyl)pyrazol-4-amine
CID 62137009
ethane;1-(3-methoxypropyl)pyrazol-4-amine
CID 178006933
N-[2-(4-aminopyrazol-1-yl)ethyl]-1,1-difluoromethanesulfonamide
CID 115319879
1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-4-amine
CID 62139555
1-[2-(dibutylamino)ethyl]pyrazol-4-amine
CID 62138066
1-(2-ethoxyethyl)pyrazol-4-amine
CID 43457185
1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-amine
CID 19622841
1-(2-ethylbutyl)pyrazol-4-amine
CID 56604384
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-propylpentanamide
CID 82985272
1-[3-(2,2-dimethylcyclopropyl)propyl]pyrazol-4-amine
CID 165481618
1-[2-[butyl(ethyl)amino]ethyl]pyrazol-4-amine
CID 62136981

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorobutyl)pyrazol-4-amine?
The IUPAC name of 1-(4,4-difluorobutyl)pyrazol-4-amine (CID 165472720) is 1-(4,4-difluorobutyl)pyrazol-4-amine.
What is the SMILES notation for 1-(4,4-difluorobutyl)pyrazol-4-amine?
The canonical SMILES for 1-(4,4-difluorobutyl)pyrazol-4-amine is Nc1cnn(CCCC(F)F)c1.
What is the InChIKey of 1-(4,4-difluorobutyl)pyrazol-4-amine?
The InChIKey is MDVQFPLBEZPOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3/c8-7(9)2-1-3-12-5-6(10)4-11-12/h4-5,7H,1-3,10H2.
What are the key properties of 1-(4,4-difluorobutyl)pyrazol-4-amine?
1-(4,4-difluorobutyl)pyrazol-4-amine has a molecular weight of 175.18 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorobutyl)pyrazol-4-amine is sourced from PubChem (CID 165472720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).