3-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)-4-phenylpyrazol-5-amine

C22H26FN5 — CID 2990523

IUPAC3-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)-4-phenylpyrazol-5-amine
SMILESCCN1CCN(Cc2nn(-c3ccc(F)cc3)c(N)c2-c2ccccc2)CC1
InChIInChI=1S/C22H26FN5/c1-2-26-12-14-27(15-13-26)16-20-21(17-6-4-3-5-7-17)22(24)28(25-20)19-10-8-18(23)9-11-19/h3-11H,2,12-16,24H2,1H3
InChIKeyHVJJHIPMTXASCC-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.40
Rot. Bonds5

About 3-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)-4-phenylpyrazol-5-amine

3-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)-4-phenylpyrazol-5-amine (PubChem CID 2990523) has the molecular formula C22H26FN5 and a molecular weight of 379.48 g/mol. Its IUPAC name is 3-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)-4-phenylpyrazol-5-amine
PubChem CID2990523
Molecular FormulaC22H26FN5
Molecular Weight379.48 g/mol
Exact Mass379.22
IUPAC Name3-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)-4-phenylpyrazol-5-amine
SMILESCCN1CCN(Cc2nn(-c3ccc(F)cc3)c(N)c2-c2ccccc2)CC1
InChIInChI=1S/C22H26FN5/c1-2-26-12-14-27(15-13-26)16-20-21(17-6-4-3-5-7-17)22(24)28(25-20)19-10-8-18(23)9-11-19/h3-11H,2,12-16,24H2,1H3
InChIKeyHVJJHIPMTXASCC-UHFFFAOYSA-N
XLogP3.40
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)-4-phenylpyrazol-5-amine?
The IUPAC name of 3-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)-4-phenylpyrazol-5-amine (CID 2990523) is 3-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)-4-phenylpyrazol-5-amine.
What is the SMILES notation for 3-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)-4-phenylpyrazol-5-amine?
The canonical SMILES for 3-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)-4-phenylpyrazol-5-amine is CCN1CCN(Cc2nn(-c3ccc(F)cc3)c(N)c2-c2ccccc2)CC1.
What is the InChIKey of 3-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)-4-phenylpyrazol-5-amine?
The InChIKey is HVJJHIPMTXASCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5/c1-2-26-12-14-27(15-13-26)16-20-21(17-6-4-3-5-7-17)22(24)28(25-20)19-10-8-18(23)9-11-19/h3-11H,2,12-16,24H2,1H3.
What are the key properties of 3-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)-4-phenylpyrazol-5-amine?
3-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)-4-phenylpyrazol-5-amine has a molecular weight of 379.48 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylpiperazin-1-yl)methyl]-1-(4-fluorophenyl)-4-phenylpyrazol-5-amine is sourced from PubChem (CID 2990523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).