5-(3,3-difluorobutyl)-1H-pyrazol-3-amine

C7H11F2N3 — CID 129066328

IUPAC5-(3,3-difluorobutyl)-1H-pyrazol-3-amine
SMILESCC(F)(F)CCc1cc(N)n[nH]1
InChIInChI=1S/C7H11F2N3/c1-7(8,9)3-2-5-4-6(10)12-11-5/h4H,2-3H2,1H3,(H3,10,11,12)
InChIKeySHKISNZQMUFMII-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.58
Rot. Bonds3

About 5-(3,3-difluorobutyl)-1H-pyrazol-3-amine

5-(3,3-difluorobutyl)-1H-pyrazol-3-amine (PubChem CID 129066328) has the molecular formula C7H11F2N3 and a molecular weight of 175.18 g/mol. Its IUPAC name is 5-(3,3-difluorobutyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3,3-difluorobutyl)-1H-pyrazol-3-amine
PubChem CID129066328
Molecular FormulaC7H11F2N3
Molecular Weight175.18 g/mol
Exact Mass175.09
IUPAC Name5-(3,3-difluorobutyl)-1H-pyrazol-3-amine
SMILESCC(F)(F)CCc1cc(N)n[nH]1
InChIInChI=1S/C7H11F2N3/c1-7(8,9)3-2-5-4-6(10)12-11-5/h4H,2-3H2,1H3,(H3,10,11,12)
InChIKeySHKISNZQMUFMII-UHFFFAOYSA-N
XLogP1.58
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluorobutyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3,3-difluorobutyl)-1H-pyrazol-3-amine (CID 129066328) is 5-(3,3-difluorobutyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3,3-difluorobutyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3,3-difluorobutyl)-1H-pyrazol-3-amine is CC(F)(F)CCc1cc(N)n[nH]1.
What is the InChIKey of 5-(3,3-difluorobutyl)-1H-pyrazol-3-amine?
The InChIKey is SHKISNZQMUFMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3/c1-7(8,9)3-2-5-4-6(10)12-11-5/h4H,2-3H2,1H3,(H3,10,11,12).
What are the key properties of 5-(3,3-difluorobutyl)-1H-pyrazol-3-amine?
5-(3,3-difluorobutyl)-1H-pyrazol-3-amine has a molecular weight of 175.18 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluorobutyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 129066328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).