1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine

C19H22N6 — CID 120767678

IUPAC1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine
SMILESCc1nn(-c2ccncc2)cc1CN1CCNCC1c1cccnc1
InChIInChI=1S/C19H22N6/c1-15-17(14-25(23-15)18-4-7-20-8-5-18)13-24-10-9-22-12-19(24)16-3-2-6-21-11-16/h2-8,11,14,19,22H,9-10,12-13H2,1H3
InChIKeyMSHAWANEXVCWSW-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.12
Rot. Bonds4

About 1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine

1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine (PubChem CID 120767678) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine
PubChem CID120767678
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine
SMILESCc1nn(-c2ccncc2)cc1CN1CCNCC1c1cccnc1
InChIInChI=1S/C19H22N6/c1-15-17(14-25(23-15)18-4-7-20-8-5-18)13-24-10-9-22-12-19(24)16-3-2-6-21-11-16/h2-8,11,14,19,22H,9-10,12-13H2,1H3
InChIKeyMSHAWANEXVCWSW-UHFFFAOYSA-N
XLogP2.12
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120767925
2-(2-chlorophenyl)-1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]piperazine
CID 120768758
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine
CID 120768364
1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768082
1-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120755227
1-[(5-fluoro-2-methylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120768241
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734
1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094
5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride
CID 120754848
1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120754425
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine (CID 120767678) is 1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine is Cc1nn(-c2ccncc2)cc1CN1CCNCC1c1cccnc1.
What is the InChIKey of 1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine?
The InChIKey is MSHAWANEXVCWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-15-17(14-25(23-15)18-4-7-20-8-5-18)13-24-10-9-22-12-19(24)16-3-2-6-21-11-16/h2-8,11,14,19,22H,9-10,12-13H2,1H3.
What are the key properties of 1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine?
1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine has a molecular weight of 334.43 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120767678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).