4-(2-aminopropyl)-N-(4-fluorophenyl)-N,1,3-trimethylpyrazol-5-amine

C15H21FN4 — CID 63815275

IUPAC4-(2-aminopropyl)-N-(4-fluorophenyl)-N,1,3-trimethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)c2ccc(F)cc2)c1CC(C)N
InChIInChI=1S/C15H21FN4/c1-10(17)9-14-11(2)18-20(4)15(14)19(3)13-7-5-12(16)6-8-13/h5-8,10H,9,17H2,1-4H3
InChIKeyHBYXWUVAOKHTGZ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.53
Rot. Bonds4

About 4-(2-aminopropyl)-N-(4-fluorophenyl)-N,1,3-trimethylpyrazol-5-amine

4-(2-aminopropyl)-N-(4-fluorophenyl)-N,1,3-trimethylpyrazol-5-amine (PubChem CID 63815275) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-(4-fluorophenyl)-N,1,3-trimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-(4-fluorophenyl)-N,1,3-trimethylpyrazol-5-amine
PubChem CID63815275
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC Name4-(2-aminopropyl)-N-(4-fluorophenyl)-N,1,3-trimethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)c2ccc(F)cc2)c1CC(C)N
InChIInChI=1S/C15H21FN4/c1-10(17)9-14-11(2)18-20(4)15(14)19(3)13-7-5-12(16)6-8-13/h5-8,10H,9,17H2,1-4H3
InChIKeyHBYXWUVAOKHTGZ-UHFFFAOYSA-N
XLogP2.53
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-(4-fluorophenyl)-N,1,3-trimethylpyrazol-5-amine?
The IUPAC name of 4-(2-aminopropyl)-N-(4-fluorophenyl)-N,1,3-trimethylpyrazol-5-amine (CID 63815275) is 4-(2-aminopropyl)-N-(4-fluorophenyl)-N,1,3-trimethylpyrazol-5-amine.
What is the SMILES notation for 4-(2-aminopropyl)-N-(4-fluorophenyl)-N,1,3-trimethylpyrazol-5-amine?
The canonical SMILES for 4-(2-aminopropyl)-N-(4-fluorophenyl)-N,1,3-trimethylpyrazol-5-amine is Cc1nn(C)c(N(C)c2ccc(F)cc2)c1CC(C)N.
What is the InChIKey of 4-(2-aminopropyl)-N-(4-fluorophenyl)-N,1,3-trimethylpyrazol-5-amine?
The InChIKey is HBYXWUVAOKHTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c1-10(17)9-14-11(2)18-20(4)15(14)19(3)13-7-5-12(16)6-8-13/h5-8,10H,9,17H2,1-4H3.
What are the key properties of 4-(2-aminopropyl)-N-(4-fluorophenyl)-N,1,3-trimethylpyrazol-5-amine?
4-(2-aminopropyl)-N-(4-fluorophenyl)-N,1,3-trimethylpyrazol-5-amine has a molecular weight of 276.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-(4-fluorophenyl)-N,1,3-trimethylpyrazol-5-amine is sourced from PubChem (CID 63815275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).