4-[2-(dimethylamino)-3,6-difluorophenyl]-1-methylpyrazol-5-amine

C12H14F2N4 — CID 115112497

IUPAC4-[2-(dimethylamino)-3,6-difluorophenyl]-1-methylpyrazol-5-amine
SMILESCN(C)c1c(F)ccc(F)c1-c1cnn(C)c1N
InChIInChI=1S/C12H14F2N4/c1-17(2)11-9(14)5-4-8(13)10(11)7-6-16-18(3)12(7)15/h4-6H,15H2,1-3H3
InChIKeyIDPWTTBHWHCRBM-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.01
Rot. Bonds2

About 4-[2-(dimethylamino)-3,6-difluorophenyl]-1-methylpyrazol-5-amine

4-[2-(dimethylamino)-3,6-difluorophenyl]-1-methylpyrazol-5-amine (PubChem CID 115112497) has the molecular formula C12H14F2N4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-3,6-difluorophenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[2-(dimethylamino)-3,6-difluorophenyl]-1-methylpyrazol-5-amine
PubChem CID115112497
Molecular FormulaC12H14F2N4
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name4-[2-(dimethylamino)-3,6-difluorophenyl]-1-methylpyrazol-5-amine
SMILESCN(C)c1c(F)ccc(F)c1-c1cnn(C)c1N
InChIInChI=1S/C12H14F2N4/c1-17(2)11-9(14)5-4-8(13)10(11)7-6-16-18(3)12(7)15/h4-6H,15H2,1-3H3
InChIKeyIDPWTTBHWHCRBM-UHFFFAOYSA-N
XLogP2.01
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorophenol
CID 117322755
4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine
CID 115112491
4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117342062
2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol
CID 117356077
4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117312373
4-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464605
4-(2-bromo-3-fluoro-5,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117479935
4-(2,5-difluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117319250
2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol
CID 117390500
4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350188
4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426013
4-(3,5-difluoro-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117319251

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-3,6-difluorophenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[2-(dimethylamino)-3,6-difluorophenyl]-1-methylpyrazol-5-amine (CID 115112497) is 4-[2-(dimethylamino)-3,6-difluorophenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[2-(dimethylamino)-3,6-difluorophenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[2-(dimethylamino)-3,6-difluorophenyl]-1-methylpyrazol-5-amine is CN(C)c1c(F)ccc(F)c1-c1cnn(C)c1N.
What is the InChIKey of 4-[2-(dimethylamino)-3,6-difluorophenyl]-1-methylpyrazol-5-amine?
The InChIKey is IDPWTTBHWHCRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4/c1-17(2)11-9(14)5-4-8(13)10(11)7-6-16-18(3)12(7)15/h4-6H,15H2,1-3H3.
What are the key properties of 4-[2-(dimethylamino)-3,6-difluorophenyl]-1-methylpyrazol-5-amine?
4-[2-(dimethylamino)-3,6-difluorophenyl]-1-methylpyrazol-5-amine has a molecular weight of 252.27 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-3,6-difluorophenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 115112497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).