1-methyl-4-[[1-[(3-pyrazol-1-ylphenyl)methyl]triazol-4-yl]methyl]piperazine

C18H23N7 — CID 138056348

IUPAC1-methyl-4-[[1-[(3-pyrazol-1-ylphenyl)methyl]triazol-4-yl]methyl]piperazine
SMILESCN1CCN(Cc2cn(Cc3cccc(-n4cccn4)c3)nn2)CC1
InChIInChI=1S/C18H23N7/c1-22-8-10-23(11-9-22)14-17-15-24(21-20-17)13-16-4-2-5-18(12-16)25-7-3-6-19-25/h2-7,12,15H,8-11,13-14H2,1H3
InChIKeyFRQIUSDAWVALKY-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.26
Rot. Bonds5

About 1-methyl-4-[[1-[(3-pyrazol-1-ylphenyl)methyl]triazol-4-yl]methyl]piperazine

1-methyl-4-[[1-[(3-pyrazol-1-ylphenyl)methyl]triazol-4-yl]methyl]piperazine (PubChem CID 138056348) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-methyl-4-[[1-[(3-pyrazol-1-ylphenyl)methyl]triazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[1-[(3-pyrazol-1-ylphenyl)methyl]triazol-4-yl]methyl]piperazine
PubChem CID138056348
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name1-methyl-4-[[1-[(3-pyrazol-1-ylphenyl)methyl]triazol-4-yl]methyl]piperazine
SMILESCN1CCN(Cc2cn(Cc3cccc(-n4cccn4)c3)nn2)CC1
InChIInChI=1S/C18H23N7/c1-22-8-10-23(11-9-22)14-17-15-24(21-20-17)13-16-4-2-5-18(12-16)25-7-3-6-19-25/h2-7,12,15H,8-11,13-14H2,1H3
InChIKeyFRQIUSDAWVALKY-UHFFFAOYSA-N
XLogP1.26
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine
CID 56897722
1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
CID 141348331
1-[[1-[(3-fluorophenyl)methyl]triazol-4-yl]methyl]-4-[(3-methylphenyl)methyl]piperazine
CID 155804078
1-[(3-pyrazol-1-ylphenyl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine
CID 118765657
1-methyl-4-[(1-pyridin-3-yltriazol-4-yl)methyl]piperazine
CID 139231916
1-cyclopentyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane
CID 70735219
4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine
CID 56913035
2-(2-methyltetrazol-5-yl)-4-[(3-pyrazol-1-ylphenyl)methyl]morpholine
CID 157011317
3-methyl-8-[(3-pyrazol-1-ylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70729618
(3-pyrazol-1-ylphenyl)methylazanium
CID 3258757
1,2-diethyl-5-[(4-methylpiperazin-1-yl)methyl]benzimidazole;1-(3-fluorophenyl)pyrazole
CID 142149514
(3-pyrazol-1-ylphenyl)methanamine;hydrochloride
CID 52988138

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[1-[(3-pyrazol-1-ylphenyl)methyl]triazol-4-yl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[1-[(3-pyrazol-1-ylphenyl)methyl]triazol-4-yl]methyl]piperazine (CID 138056348) is 1-methyl-4-[[1-[(3-pyrazol-1-ylphenyl)methyl]triazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[1-[(3-pyrazol-1-ylphenyl)methyl]triazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[1-[(3-pyrazol-1-ylphenyl)methyl]triazol-4-yl]methyl]piperazine is CN1CCN(Cc2cn(Cc3cccc(-n4cccn4)c3)nn2)CC1.
What is the InChIKey of 1-methyl-4-[[1-[(3-pyrazol-1-ylphenyl)methyl]triazol-4-yl]methyl]piperazine?
The InChIKey is FRQIUSDAWVALKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-22-8-10-23(11-9-22)14-17-15-24(21-20-17)13-16-4-2-5-18(12-16)25-7-3-6-19-25/h2-7,12,15H,8-11,13-14H2,1H3.
What are the key properties of 1-methyl-4-[[1-[(3-pyrazol-1-ylphenyl)methyl]triazol-4-yl]methyl]piperazine?
1-methyl-4-[[1-[(3-pyrazol-1-ylphenyl)methyl]triazol-4-yl]methyl]piperazine has a molecular weight of 337.43 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[1-[(3-pyrazol-1-ylphenyl)methyl]triazol-4-yl]methyl]piperazine is sourced from PubChem (CID 138056348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).