5-(1,1-difluoroethyl)-1-ethyl-N-methylpyrazol-3-amine

C8H13F2N3 — CID 129045310

IUPAC5-(1,1-difluoroethyl)-1-ethyl-N-methylpyrazol-3-amine
SMILESCCn1nc(NC)cc1C(C)(F)F
InChIInChI=1S/C8H13F2N3/c1-4-13-6(8(2,9)10)5-7(11-3)12-13/h5H,4H2,1-3H3,(H,11,12)
InChIKeyJSNHABQRINVQNV-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.06
Rot. Bonds3

About 5-(1,1-difluoroethyl)-1-ethyl-N-methylpyrazol-3-amine

5-(1,1-difluoroethyl)-1-ethyl-N-methylpyrazol-3-amine (PubChem CID 129045310) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-1-ethyl-N-methylpyrazol-3-amine.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-1-ethyl-N-methylpyrazol-3-amine
PubChem CID129045310
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name5-(1,1-difluoroethyl)-1-ethyl-N-methylpyrazol-3-amine
SMILESCCn1nc(NC)cc1C(C)(F)F
InChIInChI=1S/C8H13F2N3/c1-4-13-6(8(2,9)10)5-7(11-3)12-13/h5H,4H2,1-3H3,(H,11,12)
InChIKeyJSNHABQRINVQNV-UHFFFAOYSA-N
XLogP2.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-1-ethyl-N-methylpyrazol-3-amine?
The IUPAC name of 5-(1,1-difluoroethyl)-1-ethyl-N-methylpyrazol-3-amine (CID 129045310) is 5-(1,1-difluoroethyl)-1-ethyl-N-methylpyrazol-3-amine.
What is the SMILES notation for 5-(1,1-difluoroethyl)-1-ethyl-N-methylpyrazol-3-amine?
The canonical SMILES for 5-(1,1-difluoroethyl)-1-ethyl-N-methylpyrazol-3-amine is CCn1nc(NC)cc1C(C)(F)F.
What is the InChIKey of 5-(1,1-difluoroethyl)-1-ethyl-N-methylpyrazol-3-amine?
The InChIKey is JSNHABQRINVQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-4-13-6(8(2,9)10)5-7(11-3)12-13/h5H,4H2,1-3H3,(H,11,12).
What are the key properties of 5-(1,1-difluoroethyl)-1-ethyl-N-methylpyrazol-3-amine?
5-(1,1-difluoroethyl)-1-ethyl-N-methylpyrazol-3-amine has a molecular weight of 189.21 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-1-ethyl-N-methylpyrazol-3-amine is sourced from PubChem (CID 129045310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).