5-(2,2-difluorocyclopropyl)-1H-pyrazol-3-amine

C6H7F2N3 — CID 67089002

IUPAC5-(2,2-difluorocyclopropyl)-1H-pyrazol-3-amine
SMILESNc1cc(C2CC2(F)F)[nH]n1
InChIInChI=1S/C6H7F2N3/c7-6(8)2-3(6)4-1-5(9)11-10-4/h1,3H,2H2,(H3,9,10,11)
InChIKeyZGHOZFSUHRIEBS-UHFFFAOYSA-N
MW159.14 g/mol
LogP1.11
Rot. Bonds1

About 5-(2,2-difluorocyclopropyl)-1H-pyrazol-3-amine

5-(2,2-difluorocyclopropyl)-1H-pyrazol-3-amine (PubChem CID 67089002) has the molecular formula C6H7F2N3 and a molecular weight of 159.14 g/mol. Its IUPAC name is 5-(2,2-difluorocyclopropyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,2-difluorocyclopropyl)-1H-pyrazol-3-amine
PubChem CID67089002
Molecular FormulaC6H7F2N3
Molecular Weight159.14 g/mol
Exact Mass159.06
IUPAC Name5-(2,2-difluorocyclopropyl)-1H-pyrazol-3-amine
SMILESNc1cc(C2CC2(F)F)[nH]n1
InChIInChI=1S/C6H7F2N3/c7-6(8)2-3(6)4-1-5(9)11-10-4/h1,3H,2H2,(H3,9,10,11)
InChIKeyZGHOZFSUHRIEBS-UHFFFAOYSA-N
XLogP1.11
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluorocyclopropyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,2-difluorocyclopropyl)-1H-pyrazol-3-amine (CID 67089002) is 5-(2,2-difluorocyclopropyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,2-difluorocyclopropyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,2-difluorocyclopropyl)-1H-pyrazol-3-amine is Nc1cc(C2CC2(F)F)[nH]n1.
What is the InChIKey of 5-(2,2-difluorocyclopropyl)-1H-pyrazol-3-amine?
The InChIKey is ZGHOZFSUHRIEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3/c7-6(8)2-3(6)4-1-5(9)11-10-4/h1,3H,2H2,(H3,9,10,11).
What are the key properties of 5-(2,2-difluorocyclopropyl)-1H-pyrazol-3-amine?
5-(2,2-difluorocyclopropyl)-1H-pyrazol-3-amine has a molecular weight of 159.14 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluorocyclopropyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 67089002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).