5-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine

C15H19ClFN5 — CID 156503978

IUPAC5-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(N2CCN(c3ccc(Cl)cc3F)CC2)c1N
InChIInChI=1S/C15H19ClFN5/c1-10-14(18)15(20(2)19-10)22-7-5-21(6-8-22)13-4-3-11(16)9-12(13)17/h3-4,9H,5-8,18H2,1-2H3
InChIKeyWHLASMALYBMVOM-UHFFFAOYSA-N
MW323.80 g/mol
LogP2.43
Rot. Bonds2

About 5-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine

5-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine (PubChem CID 156503978) has the molecular formula C15H19ClFN5 and a molecular weight of 323.80 g/mol. Its IUPAC name is 5-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
PubChem CID156503978
Molecular FormulaC15H19ClFN5
Molecular Weight323.80 g/mol
Exact Mass323.13
IUPAC Name5-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(N2CCN(c3ccc(Cl)cc3F)CC2)c1N
InChIInChI=1S/C15H19ClFN5/c1-10-14(18)15(20(2)19-10)22-7-5-21(6-8-22)13-4-3-11(16)9-12(13)17/h3-4,9H,5-8,18H2,1-2H3
InChIKeyWHLASMALYBMVOM-UHFFFAOYSA-N
XLogP2.43
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine (CID 156503978) is 5-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine is Cc1nn(C)c(N2CCN(c3ccc(Cl)cc3F)CC2)c1N.
What is the InChIKey of 5-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine?
The InChIKey is WHLASMALYBMVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN5/c1-10-14(18)15(20(2)19-10)22-7-5-21(6-8-22)13-4-3-11(16)9-12(13)17/h3-4,9H,5-8,18H2,1-2H3.
What are the key properties of 5-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine?
5-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine has a molecular weight of 323.80 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 156503978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).