1-(2-phenylethyl)-4-[1-(1H-pyrazol-5-yl)-1-pyridin-4-ylethyl]piperazine

C22H27N5 — CID 121415023

IUPAC1-(2-phenylethyl)-4-[1-(1H-pyrazol-5-yl)-1-pyridin-4-ylethyl]piperazine
SMILESCC(c1ccncc1)(c1ccn[nH]1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H27N5/c1-22(21-9-13-24-25-21,20-7-11-23-12-8-20)27-17-15-26(16-18-27)14-10-19-5-3-2-4-6-19/h2-9,11-13H,10,14-18H2,1H3,(H,24,25)
InChIKeyDXCXEXLSMKWVPH-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.93
Rot. Bonds6

About 1-(2-phenylethyl)-4-[1-(1H-pyrazol-5-yl)-1-pyridin-4-ylethyl]piperazine

1-(2-phenylethyl)-4-[1-(1H-pyrazol-5-yl)-1-pyridin-4-ylethyl]piperazine (PubChem CID 121415023) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-(2-phenylethyl)-4-[1-(1H-pyrazol-5-yl)-1-pyridin-4-ylethyl]piperazine.

Molecular Properties

Compound Name1-(2-phenylethyl)-4-[1-(1H-pyrazol-5-yl)-1-pyridin-4-ylethyl]piperazine
PubChem CID121415023
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name1-(2-phenylethyl)-4-[1-(1H-pyrazol-5-yl)-1-pyridin-4-ylethyl]piperazine
SMILESCC(c1ccncc1)(c1ccn[nH]1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H27N5/c1-22(21-9-13-24-25-21,20-7-11-23-12-8-20)27-17-15-26(16-18-27)14-10-19-5-3-2-4-6-19/h2-9,11-13H,10,14-18H2,1H3,(H,24,25)
InChIKeyDXCXEXLSMKWVPH-UHFFFAOYSA-N
XLogP2.93
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-4-(2-phenylethyl)piperazine
CID 21132134
2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide
CID 63342490
4-[4-(2-phenylethyl)piperazin-1-yl]-2-pyridin-4-ylquinazoline
CID 24626620
1-(2-phenylethyl)-4-(pyridin-3-ylmethyl)piperazine;trihydrobromide
CID 68939346
1-(2-chloroethyl)-4-(2-phenylethyl)piperazine
CID 10264250
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
tert-butyl 4-(2-pyridin-4-ylethyl)piperazine-1-carboxylate
CID 22321631
1-(1,1-diphenylethyl)-4,7-dimethyl-1,4,7-triazonane
CID 149041478
1-[4-(2-phenylethyl)piperazin-1-yl]-3-pyridin-3-ylpropan-2-one
CID 68943810
4-(2-methyl-5-phenylpentan-2-yl)pyridine;hydrochloride
CID 117067741
2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 171335725
9-(1,1-dipyridin-4-ylethyl)carbazole
CID 174727919

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-4-[1-(1H-pyrazol-5-yl)-1-pyridin-4-ylethyl]piperazine?
The IUPAC name of 1-(2-phenylethyl)-4-[1-(1H-pyrazol-5-yl)-1-pyridin-4-ylethyl]piperazine (CID 121415023) is 1-(2-phenylethyl)-4-[1-(1H-pyrazol-5-yl)-1-pyridin-4-ylethyl]piperazine.
What is the SMILES notation for 1-(2-phenylethyl)-4-[1-(1H-pyrazol-5-yl)-1-pyridin-4-ylethyl]piperazine?
The canonical SMILES for 1-(2-phenylethyl)-4-[1-(1H-pyrazol-5-yl)-1-pyridin-4-ylethyl]piperazine is CC(c1ccncc1)(c1ccn[nH]1)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-(2-phenylethyl)-4-[1-(1H-pyrazol-5-yl)-1-pyridin-4-ylethyl]piperazine?
The InChIKey is DXCXEXLSMKWVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-22(21-9-13-24-25-21,20-7-11-23-12-8-20)27-17-15-26(16-18-27)14-10-19-5-3-2-4-6-19/h2-9,11-13H,10,14-18H2,1H3,(H,24,25).
What are the key properties of 1-(2-phenylethyl)-4-[1-(1H-pyrazol-5-yl)-1-pyridin-4-ylethyl]piperazine?
1-(2-phenylethyl)-4-[1-(1H-pyrazol-5-yl)-1-pyridin-4-ylethyl]piperazine has a molecular weight of 361.49 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-4-[1-(1H-pyrazol-5-yl)-1-pyridin-4-ylethyl]piperazine is sourced from PubChem (CID 121415023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).