1-[1-(2,6-difluorophenyl)ethyl]-4-methylpyrazol-5-amine

C12H13F2N3 — CID 43148131

IUPAC1-[1-(2,6-difluorophenyl)ethyl]-4-methylpyrazol-5-amine
SMILESCc1cnn(C(C)c2c(F)cccc2F)c1N
InChIInChI=1S/C12H13F2N3/c1-7-6-16-17(12(7)15)8(2)11-9(13)4-3-5-10(11)14/h3-6,8H,15H2,1-2H3
InChIKeyREXVJOVRHMBIPR-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.66
Rot. Bonds2

About 1-[1-(2,6-difluorophenyl)ethyl]-4-methylpyrazol-5-amine

1-[1-(2,6-difluorophenyl)ethyl]-4-methylpyrazol-5-amine (PubChem CID 43148131) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-[1-(2,6-difluorophenyl)ethyl]-4-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-[1-(2,6-difluorophenyl)ethyl]-4-methylpyrazol-5-amine
PubChem CID43148131
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name1-[1-(2,6-difluorophenyl)ethyl]-4-methylpyrazol-5-amine
SMILESCc1cnn(C(C)c2c(F)cccc2F)c1N
InChIInChI=1S/C12H13F2N3/c1-7-6-16-17(12(7)15)8(2)11-9(13)4-3-5-10(11)14/h3-6,8H,15H2,1-2H3
InChIKeyREXVJOVRHMBIPR-UHFFFAOYSA-N
XLogP2.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-difluorophenyl)ethyl]-4-methylpyrazol-5-amine?
The IUPAC name of 1-[1-(2,6-difluorophenyl)ethyl]-4-methylpyrazol-5-amine (CID 43148131) is 1-[1-(2,6-difluorophenyl)ethyl]-4-methylpyrazol-5-amine.
What is the SMILES notation for 1-[1-(2,6-difluorophenyl)ethyl]-4-methylpyrazol-5-amine?
The canonical SMILES for 1-[1-(2,6-difluorophenyl)ethyl]-4-methylpyrazol-5-amine is Cc1cnn(C(C)c2c(F)cccc2F)c1N.
What is the InChIKey of 1-[1-(2,6-difluorophenyl)ethyl]-4-methylpyrazol-5-amine?
The InChIKey is REXVJOVRHMBIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-7-6-16-17(12(7)15)8(2)11-9(13)4-3-5-10(11)14/h3-6,8H,15H2,1-2H3.
What are the key properties of 1-[1-(2,6-difluorophenyl)ethyl]-4-methylpyrazol-5-amine?
1-[1-(2,6-difluorophenyl)ethyl]-4-methylpyrazol-5-amine has a molecular weight of 237.25 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-difluorophenyl)ethyl]-4-methylpyrazol-5-amine is sourced from PubChem (CID 43148131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).