4-(2-fluorophenyl)-1-methyl-3-(2-methylbutyl)pyrazol-5-amine

C15H20FN3 — CID 114875030

IUPAC4-(2-fluorophenyl)-1-methyl-3-(2-methylbutyl)pyrazol-5-amine
SMILESCCC(C)Cc1nn(C)c(N)c1-c1ccccc1F
InChIInChI=1S/C15H20FN3/c1-4-10(2)9-13-14(15(17)19(3)18-13)11-7-5-6-8-12(11)16/h5-8,10H,4,9,17H2,1-3H3
InChIKeyHBTSKZAAFHQQLD-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.40
Rot. Bonds4

About 4-(2-fluorophenyl)-1-methyl-3-(2-methylbutyl)pyrazol-5-amine

4-(2-fluorophenyl)-1-methyl-3-(2-methylbutyl)pyrazol-5-amine (PubChem CID 114875030) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1-methyl-3-(2-methylbutyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1-methyl-3-(2-methylbutyl)pyrazol-5-amine
PubChem CID114875030
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name4-(2-fluorophenyl)-1-methyl-3-(2-methylbutyl)pyrazol-5-amine
SMILESCCC(C)Cc1nn(C)c(N)c1-c1ccccc1F
InChIInChI=1S/C15H20FN3/c1-4-10(2)9-13-14(15(17)19(3)18-13)11-7-5-6-8-12(11)16/h5-8,10H,4,9,17H2,1-3H3
InChIKeyHBTSKZAAFHQQLD-UHFFFAOYSA-N
XLogP3.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1-methyl-3-(2-methylbutyl)pyrazol-5-amine?
The IUPAC name of 4-(2-fluorophenyl)-1-methyl-3-(2-methylbutyl)pyrazol-5-amine (CID 114875030) is 4-(2-fluorophenyl)-1-methyl-3-(2-methylbutyl)pyrazol-5-amine.
What is the SMILES notation for 4-(2-fluorophenyl)-1-methyl-3-(2-methylbutyl)pyrazol-5-amine?
The canonical SMILES for 4-(2-fluorophenyl)-1-methyl-3-(2-methylbutyl)pyrazol-5-amine is CCC(C)Cc1nn(C)c(N)c1-c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-1-methyl-3-(2-methylbutyl)pyrazol-5-amine?
The InChIKey is HBTSKZAAFHQQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-4-10(2)9-13-14(15(17)19(3)18-13)11-7-5-6-8-12(11)16/h5-8,10H,4,9,17H2,1-3H3.
What are the key properties of 4-(2-fluorophenyl)-1-methyl-3-(2-methylbutyl)pyrazol-5-amine?
4-(2-fluorophenyl)-1-methyl-3-(2-methylbutyl)pyrazol-5-amine has a molecular weight of 261.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1-methyl-3-(2-methylbutyl)pyrazol-5-amine is sourced from PubChem (CID 114875030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).