(2R)-2-(1-methylpyrazol-4-yl)-1,4-bis(pyridin-2-ylmethyl)piperazine

C20H24N6 — CID 124885920

IUPAC(2R)-2-(1-methylpyrazol-4-yl)-1,4-bis(pyridin-2-ylmethyl)piperazine
SMILESCn1cc([C@@H]2CN(Cc3ccccn3)CCN2Cc2ccccn2)cn1
InChIInChI=1S/C20H24N6/c1-24-13-17(12-23-24)20-16-25(14-18-6-2-4-8-21-18)10-11-26(20)15-19-7-3-5-9-22-19/h2-9,12-13,20H,10-11,14-16H2,1H3/t20-/m0/s1
InChIKeyUIUWSTINKBDAIV-FQEVSTJZSA-N
MW348.45 g/mol
LogP2.27
Rot. Bonds5

About (2R)-2-(1-methylpyrazol-4-yl)-1,4-bis(pyridin-2-ylmethyl)piperazine

(2R)-2-(1-methylpyrazol-4-yl)-1,4-bis(pyridin-2-ylmethyl)piperazine (PubChem CID 124885920) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is (2R)-2-(1-methylpyrazol-4-yl)-1,4-bis(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name(2R)-2-(1-methylpyrazol-4-yl)-1,4-bis(pyridin-2-ylmethyl)piperazine
PubChem CID124885920
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name(2R)-2-(1-methylpyrazol-4-yl)-1,4-bis(pyridin-2-ylmethyl)piperazine
SMILESCn1cc([C@@H]2CN(Cc3ccccn3)CCN2Cc2ccccn2)cn1
InChIInChI=1S/C20H24N6/c1-24-13-17(12-23-24)20-16-25(14-18-6-2-4-8-21-18)10-11-26(20)15-19-7-3-5-9-22-19/h2-9,12-13,20H,10-11,14-16H2,1H3/t20-/m0/s1
InChIKeyUIUWSTINKBDAIV-FQEVSTJZSA-N
XLogP2.27
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]pyridine
CID 95326229
2-[[4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]methyl]pyridine
CID 95569682
(2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine
CID 124976190
(8aR)-2-methyl-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537104
1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine
CID 787097
N-methyl-3-[(2S)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]benzamide
CID 125001060
4-[[1,4,7,10-tetrakis(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]aniline
CID 118551578
CID 59694740
CID 59694740
1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
(2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 97470960
3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 71639374
4-chloro-2-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyridazin-3-one
CID 121472649

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-methylpyrazol-4-yl)-1,4-bis(pyridin-2-ylmethyl)piperazine?
The IUPAC name of (2R)-2-(1-methylpyrazol-4-yl)-1,4-bis(pyridin-2-ylmethyl)piperazine (CID 124885920) is (2R)-2-(1-methylpyrazol-4-yl)-1,4-bis(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for (2R)-2-(1-methylpyrazol-4-yl)-1,4-bis(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for (2R)-2-(1-methylpyrazol-4-yl)-1,4-bis(pyridin-2-ylmethyl)piperazine is Cn1cc([C@@H]2CN(Cc3ccccn3)CCN2Cc2ccccn2)cn1.
What is the InChIKey of (2R)-2-(1-methylpyrazol-4-yl)-1,4-bis(pyridin-2-ylmethyl)piperazine?
The InChIKey is UIUWSTINKBDAIV-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24N6/c1-24-13-17(12-23-24)20-16-25(14-18-6-2-4-8-21-18)10-11-26(20)15-19-7-3-5-9-22-19/h2-9,12-13,20H,10-11,14-16H2,1H3/t20-/m0/s1.
What are the key properties of (2R)-2-(1-methylpyrazol-4-yl)-1,4-bis(pyridin-2-ylmethyl)piperazine?
(2R)-2-(1-methylpyrazol-4-yl)-1,4-bis(pyridin-2-ylmethyl)piperazine has a molecular weight of 348.45 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-methylpyrazol-4-yl)-1,4-bis(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 124885920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).