[3-butyl-1-methyl-4-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]pyrazol-5-yl]methanol

C26H34N6OSn — CID 10483024

IUPAC[3-butyl-1-methyl-4-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]pyrazol-5-yl]methanol
SMILESCCCCc1nn(C)c(CO)c1Cc1ccc(-c2ccccc2-c2nnnn2[Sn](C)(C)C)cc1
InChIInChI=1S/C23H25N6O.3CH3.Sn/c1-3-4-9-21-20(22(15-30)29(2)26-21)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)23-24-27-28-25-23;;;;/h5-8,10-13,30H,3-4,9,14-15H2,1-2H3;3*1H3;/q-1;;;;+1
InChIKeyBRHISHXROMJLCL-UHFFFAOYSA-N
MW565.31 g/mol
LogP4.85
Rot. Bonds9

About [3-butyl-1-methyl-4-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]pyrazol-5-yl]methanol

[3-butyl-1-methyl-4-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]pyrazol-5-yl]methanol (PubChem CID 10483024) has the molecular formula C26H34N6OSn and a molecular weight of 565.31 g/mol. Its IUPAC name is [3-butyl-1-methyl-4-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-butyl-1-methyl-4-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]pyrazol-5-yl]methanol
PubChem CID10483024
Molecular FormulaC26H34N6OSn
Molecular Weight565.31 g/mol
Exact Mass566.18
IUPAC Name[3-butyl-1-methyl-4-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]pyrazol-5-yl]methanol
SMILESCCCCc1nn(C)c(CO)c1Cc1ccc(-c2ccccc2-c2nnnn2[Sn](C)(C)C)cc1
InChIInChI=1S/C23H25N6O.3CH3.Sn/c1-3-4-9-21-20(22(15-30)29(2)26-21)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)23-24-27-28-25-23;;;;/h5-8,10-13,30H,3-4,9,14-15H2,1-2H3;3*1H3;/q-1;;;;+1
InChIKeyBRHISHXROMJLCL-UHFFFAOYSA-N
XLogP4.85
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.31
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[[3-butyl-5-(hydroxymethyl)-1-methylpyrazol-4-yl]methyl]phenyl]benzoic acid
CID 67939623
7-propyl-8-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
CID 10053871
2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzonitrile;[2-butyl-5-chloro-3-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 88626151
ethyl 2-[5-methyl-7-propyl-8-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]acetate
CID 10372177
3-benzyl-6-butyl-2-methyl-5-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-one
CID 10509161
ethyl 3-butyl-1-(2-methylphenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-5-carboxylate
CID 14971680
3,4,5-tributyl-1-methylpyrazole
CID 57481984
2-butyl-4,5-dimethyl-1-oxido-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyridin-1-ium
CID 10009524
2-butyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine
CID 139626462
[2-butyl-6-methyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]quinolin-4-yl]methanol
CID 19814444
ethyl 3-butyl-1-(2,3-dichlorophenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-5-carboxylate
CID 14971676
tert-butyl 2-[4-[(2-butylpyrazolo[1,5-a]pyridin-3-yl)methyl]phenyl]benzoate
CID 19032470

Frequently Asked Questions

What is the IUPAC name of [3-butyl-1-methyl-4-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]pyrazol-5-yl]methanol?
The IUPAC name of [3-butyl-1-methyl-4-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]pyrazol-5-yl]methanol (CID 10483024) is [3-butyl-1-methyl-4-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]pyrazol-5-yl]methanol.
What is the SMILES notation for [3-butyl-1-methyl-4-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]pyrazol-5-yl]methanol?
The canonical SMILES for [3-butyl-1-methyl-4-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]pyrazol-5-yl]methanol is CCCCc1nn(C)c(CO)c1Cc1ccc(-c2ccccc2-c2nnnn2[Sn](C)(C)C)cc1.
What is the InChIKey of [3-butyl-1-methyl-4-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]pyrazol-5-yl]methanol?
The InChIKey is BRHISHXROMJLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N6O.3CH3.Sn/c1-3-4-9-21-20(22(15-30)29(2)26-21)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)23-24-27-28-25-23;;;;/h5-8,10-13,30H,3-4,9,14-15H2,1-2H3;3*1H3;/q-1;;;;+1.
What are the key properties of [3-butyl-1-methyl-4-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]pyrazol-5-yl]methanol?
[3-butyl-1-methyl-4-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]pyrazol-5-yl]methanol has a molecular weight of 565.31 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-butyl-1-methyl-4-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]pyrazol-5-yl]methanol is sourced from PubChem (CID 10483024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).