4-[2-(dimethylamino)-4-fluorophenyl]-1H-pyrazol-5-amine

C11H13FN4 — CID 115112116

IUPAC4-[2-(dimethylamino)-4-fluorophenyl]-1H-pyrazol-5-amine
SMILESCN(C)c1cc(F)ccc1-c1cn[nH]c1N
InChIInChI=1S/C11H13FN4/c1-16(2)10-5-7(12)3-4-8(10)9-6-14-15-11(9)13/h3-6H,1-2H3,(H3,13,14,15)
InChIKeyPTRIGECQPBTRGI-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.86
Rot. Bonds2

About 4-[2-(dimethylamino)-4-fluorophenyl]-1H-pyrazol-5-amine

4-[2-(dimethylamino)-4-fluorophenyl]-1H-pyrazol-5-amine (PubChem CID 115112116) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-4-fluorophenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[2-(dimethylamino)-4-fluorophenyl]-1H-pyrazol-5-amine
PubChem CID115112116
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name4-[2-(dimethylamino)-4-fluorophenyl]-1H-pyrazol-5-amine
SMILESCN(C)c1cc(F)ccc1-c1cn[nH]c1N
InChIInChI=1S/C11H13FN4/c1-16(2)10-5-7(12)3-4-8(10)9-6-14-15-11(9)13/h3-6H,1-2H3,(H3,13,14,15)
InChIKeyPTRIGECQPBTRGI-UHFFFAOYSA-N
XLogP1.86
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-4-fluorophenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[2-(dimethylamino)-4-fluorophenyl]-1H-pyrazol-5-amine (CID 115112116) is 4-[2-(dimethylamino)-4-fluorophenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[2-(dimethylamino)-4-fluorophenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[2-(dimethylamino)-4-fluorophenyl]-1H-pyrazol-5-amine is CN(C)c1cc(F)ccc1-c1cn[nH]c1N.
What is the InChIKey of 4-[2-(dimethylamino)-4-fluorophenyl]-1H-pyrazol-5-amine?
The InChIKey is PTRIGECQPBTRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-16(2)10-5-7(12)3-4-8(10)9-6-14-15-11(9)13/h3-6H,1-2H3,(H3,13,14,15).
What are the key properties of 4-[2-(dimethylamino)-4-fluorophenyl]-1H-pyrazol-5-amine?
4-[2-(dimethylamino)-4-fluorophenyl]-1H-pyrazol-5-amine has a molecular weight of 220.25 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-4-fluorophenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 115112116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).