4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine

C12H15FN4 — CID 115112491

IUPAC4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine
SMILESCN(C)c1cc(-c2cnn(C)c2N)ccc1F
InChIInChI=1S/C12H15FN4/c1-16(2)11-6-8(4-5-10(11)13)9-7-15-17(3)12(9)14/h4-7H,14H2,1-3H3
InChIKeyWSOIRTVFLSWFHU-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.87
Rot. Bonds2

About 4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine

4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine (PubChem CID 115112491) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine
PubChem CID115112491
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine
SMILESCN(C)c1cc(-c2cnn(C)c2N)ccc1F
InChIInChI=1S/C12H15FN4/c1-16(2)11-6-8(4-5-10(11)13)9-7-15-17(3)12(9)14/h4-7H,14H2,1-3H3
InChIKeyWSOIRTVFLSWFHU-UHFFFAOYSA-N
XLogP1.87
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine
CID 117428222
4-[2-(dimethylamino)-3,6-difluorophenyl]-1-methylpyrazol-5-amine
CID 115112497
4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol
CID 117319162
4-(3-fluoro-4-pentan-3-ylphenyl)-1-methylpyrazol-5-amine
CID 117407893
4-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 115112521
4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117387554
4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464596
4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine
CID 117478888
4-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-methylpyrazol-5-amine
CID 117412217
4-(4-ethyl-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117307110
4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117319243

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine (CID 115112491) is 4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine is CN(C)c1cc(-c2cnn(C)c2N)ccc1F.
What is the InChIKey of 4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine?
The InChIKey is WSOIRTVFLSWFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-16(2)11-6-8(4-5-10(11)13)9-7-15-17(3)12(9)14/h4-7H,14H2,1-3H3.
What are the key properties of 4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine?
4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine has a molecular weight of 234.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 115112491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).