4-[3-(dimethylamino)-4,5-difluorophenyl]-1H-pyrazol-5-amine

C11H12F2N4 — CID 115112103

IUPAC4-[3-(dimethylamino)-4,5-difluorophenyl]-1H-pyrazol-5-amine
SMILESCN(C)c1cc(-c2cn[nH]c2N)cc(F)c1F
InChIInChI=1S/C11H12F2N4/c1-17(2)9-4-6(3-8(12)10(9)13)7-5-15-16-11(7)14/h3-5H,1-2H3,(H3,14,15,16)
InChIKeyCKYMVAPKPLDTLM-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.00
Rot. Bonds2

About 4-[3-(dimethylamino)-4,5-difluorophenyl]-1H-pyrazol-5-amine

4-[3-(dimethylamino)-4,5-difluorophenyl]-1H-pyrazol-5-amine (PubChem CID 115112103) has the molecular formula C11H12F2N4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-[3-(dimethylamino)-4,5-difluorophenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[3-(dimethylamino)-4,5-difluorophenyl]-1H-pyrazol-5-amine
PubChem CID115112103
Molecular FormulaC11H12F2N4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name4-[3-(dimethylamino)-4,5-difluorophenyl]-1H-pyrazol-5-amine
SMILESCN(C)c1cc(-c2cn[nH]c2N)cc(F)c1F
InChIInChI=1S/C11H12F2N4/c1-17(2)9-4-6(3-8(12)10(9)13)7-5-15-16-11(7)14/h3-5H,1-2H3,(H3,14,15,16)
InChIKeyCKYMVAPKPLDTLM-UHFFFAOYSA-N
XLogP2.00
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)-4,5-difluorophenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[3-(dimethylamino)-4,5-difluorophenyl]-1H-pyrazol-5-amine (CID 115112103) is 4-[3-(dimethylamino)-4,5-difluorophenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[3-(dimethylamino)-4,5-difluorophenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[3-(dimethylamino)-4,5-difluorophenyl]-1H-pyrazol-5-amine is CN(C)c1cc(-c2cn[nH]c2N)cc(F)c1F.
What is the InChIKey of 4-[3-(dimethylamino)-4,5-difluorophenyl]-1H-pyrazol-5-amine?
The InChIKey is CKYMVAPKPLDTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4/c1-17(2)9-4-6(3-8(12)10(9)13)7-5-15-16-11(7)14/h3-5H,1-2H3,(H3,14,15,16).
What are the key properties of 4-[3-(dimethylamino)-4,5-difluorophenyl]-1H-pyrazol-5-amine?
4-[3-(dimethylamino)-4,5-difluorophenyl]-1H-pyrazol-5-amine has a molecular weight of 238.24 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)-4,5-difluorophenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 115112103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).