1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine

C7H11F2N3 — CID 169166896

IUPAC1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine
SMILESCC(C)c1cc(N)nn1C(F)F
InChIInChI=1S/C7H11F2N3/c1-4(2)5-3-6(10)11-12(5)7(8)9/h3-4,7H,1-2H3,(H2,10,11)
InChIKeyQLNVCGJROWNLDH-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.98
Rot. Bonds2

About 1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine

1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine (PubChem CID 169166896) has the molecular formula C7H11F2N3 and a molecular weight of 175.18 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine
PubChem CID169166896
Molecular FormulaC7H11F2N3
Molecular Weight175.18 g/mol
Exact Mass175.09
IUPAC Name1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine
SMILESCC(C)c1cc(N)nn1C(F)F
InChIInChI=1S/C7H11F2N3/c1-4(2)5-3-6(10)11-12(5)7(8)9/h3-4,7H,1-2H3,(H2,10,11)
InChIKeyQLNVCGJROWNLDH-UHFFFAOYSA-N
XLogP1.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine?
The IUPAC name of 1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine (CID 169166896) is 1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for 1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine?
The canonical SMILES for 1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine is CC(C)c1cc(N)nn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine?
The InChIKey is QLNVCGJROWNLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3/c1-4(2)5-3-6(10)11-12(5)7(8)9/h3-4,7H,1-2H3,(H2,10,11).
What are the key properties of 1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine?
1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine has a molecular weight of 175.18 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 169166896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).