1-(2,2-difluoroethyl)-N-(1H-pyrrol-2-yl)pyrazol-4-amine

C9H10F2N4 — CID 172865970

IUPAC1-(2,2-difluoroethyl)-N-(1H-pyrrol-2-yl)pyrazol-4-amine
SMILESFC(F)Cn1cc(Nc2ccc[nH]2)cn1
InChIInChI=1S/C9H10F2N4/c10-8(11)6-15-5-7(4-13-15)14-9-2-1-3-12-9/h1-5,8,12,14H,6H2
InChIKeyZZPCGPAYFPKJDI-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.22
Rot. Bonds4

About 1-(2,2-difluoroethyl)-N-(1H-pyrrol-2-yl)pyrazol-4-amine

1-(2,2-difluoroethyl)-N-(1H-pyrrol-2-yl)pyrazol-4-amine (PubChem CID 172865970) has the molecular formula C9H10F2N4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(1H-pyrrol-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(1H-pyrrol-2-yl)pyrazol-4-amine
PubChem CID172865970
Molecular FormulaC9H10F2N4
Molecular Weight212.20 g/mol
Exact Mass212.09
IUPAC Name1-(2,2-difluoroethyl)-N-(1H-pyrrol-2-yl)pyrazol-4-amine
SMILESFC(F)Cn1cc(Nc2ccc[nH]2)cn1
InChIInChI=1S/C9H10F2N4/c10-8(11)6-15-5-7(4-13-15)14-9-2-1-3-12-9/h1-5,8,12,14H,6H2
InChIKeyZZPCGPAYFPKJDI-UHFFFAOYSA-N
XLogP2.22
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(1H-pyrrol-2-yl)pyrazol-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(1H-pyrrol-2-yl)pyrazol-4-amine (CID 172865970) is 1-(2,2-difluoroethyl)-N-(1H-pyrrol-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(1H-pyrrol-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(1H-pyrrol-2-yl)pyrazol-4-amine is FC(F)Cn1cc(Nc2ccc[nH]2)cn1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(1H-pyrrol-2-yl)pyrazol-4-amine?
The InChIKey is ZZPCGPAYFPKJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4/c10-8(11)6-15-5-7(4-13-15)14-9-2-1-3-12-9/h1-5,8,12,14H,6H2.
What are the key properties of 1-(2,2-difluoroethyl)-N-(1H-pyrrol-2-yl)pyrazol-4-amine?
1-(2,2-difluoroethyl)-N-(1H-pyrrol-2-yl)pyrazol-4-amine has a molecular weight of 212.20 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(1H-pyrrol-2-yl)pyrazol-4-amine is sourced from PubChem (CID 172865970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).