4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-amine

C11H12FN3 — CID 23084651

IUPAC4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1-c1ccc(F)cc1
InChIInChI=1S/C11H12FN3/c1-7-10(11(13)15(2)14-7)8-3-5-9(12)6-4-8/h3-6H,13H2,1-2H3
InChIKeyDXBQDNTXXKSCMW-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.12
Rot. Bonds1

About 4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-amine

4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-amine (PubChem CID 23084651) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-amine
PubChem CID23084651
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1-c1ccc(F)cc1
InChIInChI=1S/C11H12FN3/c1-7-10(11(13)15(2)14-7)8-3-5-9(12)6-4-8/h3-6H,13H2,1-2H3
InChIKeyDXBQDNTXXKSCMW-UHFFFAOYSA-N
XLogP2.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-amine (CID 23084651) is 4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-amine is Cc1nn(C)c(N)c1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
The InChIKey is DXBQDNTXXKSCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-7-10(11(13)15(2)14-7)8-3-5-9(12)6-4-8/h3-6H,13H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-amine?
4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-amine has a molecular weight of 205.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 23084651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).