1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine

C8H13F2N3 — CID 115921015

IUPAC1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine
SMILESCC(C)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C8H13F2N3/c1-6(2)11-8-3-4-13(12-8)5-7(9)10/h3-4,6-7H,5H2,1-2H3,(H,11,12)
InChIKeyWIOBEUKCXLJDPR-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.97
Rot. Bonds4

About 1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine

1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine (PubChem CID 115921015) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine
PubChem CID115921015
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine
SMILESCC(C)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C8H13F2N3/c1-6(2)11-8-3-4-13(12-8)5-7(9)10/h3-4,6-7H,5H2,1-2H3,(H,11,12)
InChIKeyWIOBEUKCXLJDPR-UHFFFAOYSA-N
XLogP1.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine (CID 115921015) is 1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine is CC(C)Nc1ccn(CC(F)F)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine?
The InChIKey is WIOBEUKCXLJDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-6(2)11-8-3-4-13(12-8)5-7(9)10/h3-4,6-7H,5H2,1-2H3,(H,11,12).
What are the key properties of 1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine?
1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine has a molecular weight of 189.21 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 115921015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).