1-[(2-ethylpyrazol-3-yl)methyl]-2-pyridin-3-ylpiperazine

C15H21N5 — CID 120767944

IUPAC1-[(2-ethylpyrazol-3-yl)methyl]-2-pyridin-3-ylpiperazine
SMILESCCn1nccc1CN1CCNCC1c1cccnc1
InChIInChI=1S/C15H21N5/c1-2-20-14(5-7-18-20)12-19-9-8-17-11-15(19)13-4-3-6-16-10-13/h3-7,10,15,17H,2,8-9,11-12H2,1H3
InChIKeyHUIMQGBCXSBJTD-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.44
Rot. Bonds4

About 1-[(2-ethylpyrazol-3-yl)methyl]-2-pyridin-3-ylpiperazine

1-[(2-ethylpyrazol-3-yl)methyl]-2-pyridin-3-ylpiperazine (PubChem CID 120767944) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1-[(2-ethylpyrazol-3-yl)methyl]-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[(2-ethylpyrazol-3-yl)methyl]-2-pyridin-3-ylpiperazine
PubChem CID120767944
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name1-[(2-ethylpyrazol-3-yl)methyl]-2-pyridin-3-ylpiperazine
SMILESCCn1nccc1CN1CCNCC1c1cccnc1
InChIInChI=1S/C15H21N5/c1-2-20-14(5-7-18-20)12-19-9-8-17-11-15(19)13-4-3-6-16-10-13/h3-7,10,15,17H,2,8-9,11-12H2,1H3
InChIKeyHUIMQGBCXSBJTD-UHFFFAOYSA-N
XLogP1.44
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734
5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride
CID 120754848
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine
CID 120768364
1-(1-benzofuran-2-ylmethyl)-2-pyridin-3-ylpiperazine
CID 120767732
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894
5-methoxy-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]pyran-4-one
CID 120755423
3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride
CID 120755446
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
2-(2-pyridin-3-ylpiperazin-1-yl)ethanamine
CID 120754253

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylpyrazol-3-yl)methyl]-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-[(2-ethylpyrazol-3-yl)methyl]-2-pyridin-3-ylpiperazine (CID 120767944) is 1-[(2-ethylpyrazol-3-yl)methyl]-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[(2-ethylpyrazol-3-yl)methyl]-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[(2-ethylpyrazol-3-yl)methyl]-2-pyridin-3-ylpiperazine is CCn1nccc1CN1CCNCC1c1cccnc1.
What is the InChIKey of 1-[(2-ethylpyrazol-3-yl)methyl]-2-pyridin-3-ylpiperazine?
The InChIKey is HUIMQGBCXSBJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-2-20-14(5-7-18-20)12-19-9-8-17-11-15(19)13-4-3-6-16-10-13/h3-7,10,15,17H,2,8-9,11-12H2,1H3.
What are the key properties of 1-[(2-ethylpyrazol-3-yl)methyl]-2-pyridin-3-ylpiperazine?
1-[(2-ethylpyrazol-3-yl)methyl]-2-pyridin-3-ylpiperazine has a molecular weight of 271.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylpyrazol-3-yl)methyl]-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120767944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).