1-[3-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]-2-pyridinyl]phenyl]piperazine

C23H29N5O — CID 168665406

IUPAC1-[3-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]-2-pyridinyl]phenyl]piperazine
SMILESCc1nn(C)c(C)c1CCOc1cccnc1-c1cccc(N2CCNCC2)c1
InChIInChI=1S/C23H29N5O/c1-17-21(18(2)27(3)26-17)9-15-29-22-8-5-10-25-23(22)19-6-4-7-20(16-19)28-13-11-24-12-14-28/h4-8,10,16,24H,9,11-15H2,1-3H3
InChIKeyHIQVQPNQADMTSU-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.13
Rot. Bonds6

About 1-[3-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]-2-pyridinyl]phenyl]piperazine

1-[3-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]-2-pyridinyl]phenyl]piperazine (PubChem CID 168665406) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[3-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]-2-pyridinyl]phenyl]piperazine.

Molecular Properties

Compound Name1-[3-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]-2-pyridinyl]phenyl]piperazine
PubChem CID168665406
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name1-[3-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]-2-pyridinyl]phenyl]piperazine
SMILESCc1nn(C)c(C)c1CCOc1cccnc1-c1cccc(N2CCNCC2)c1
InChIInChI=1S/C23H29N5O/c1-17-21(18(2)27(3)26-17)9-15-29-22-8-5-10-25-23(22)19-6-4-7-20(16-19)28-13-11-24-12-14-28/h4-8,10,16,24H,9,11-15H2,1-3H3
InChIKeyHIQVQPNQADMTSU-UHFFFAOYSA-N
XLogP3.13
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]-2-pyridinyl]phenyl]piperazine?
The IUPAC name of 1-[3-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]-2-pyridinyl]phenyl]piperazine (CID 168665406) is 1-[3-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]-2-pyridinyl]phenyl]piperazine.
What is the SMILES notation for 1-[3-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]-2-pyridinyl]phenyl]piperazine?
The canonical SMILES for 1-[3-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]-2-pyridinyl]phenyl]piperazine is Cc1nn(C)c(C)c1CCOc1cccnc1-c1cccc(N2CCNCC2)c1.
What is the InChIKey of 1-[3-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]-2-pyridinyl]phenyl]piperazine?
The InChIKey is HIQVQPNQADMTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-17-21(18(2)27(3)26-17)9-15-29-22-8-5-10-25-23(22)19-6-4-7-20(16-19)28-13-11-24-12-14-28/h4-8,10,16,24H,9,11-15H2,1-3H3.
What are the key properties of 1-[3-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]-2-pyridinyl]phenyl]piperazine?
1-[3-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]-2-pyridinyl]phenyl]piperazine has a molecular weight of 391.52 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]-2-pyridinyl]phenyl]piperazine is sourced from PubChem (CID 168665406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).