benzyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate

C26H32N4O3 — CID 170193723

IUPACbenzyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate
SMILESCc1nc(-c2cnn(C)c2CN(C)C(=O)OCc2ccccc2)ccc1OC1CCCCC1
InChIInChI=1S/C26H32N4O3/c1-19-25(33-21-12-8-5-9-13-21)15-14-23(28-19)22-16-27-30(3)24(22)17-29(2)26(31)32-18-20-10-6-4-7-11-20/h4,6-7,10-11,14-16,21H,5,8-9,12-13,17-18H2,1-3H3
InChIKeyBFCOGDUJWVZBNU-UHFFFAOYSA-N
MW448.57 g/mol
LogP5.27
Rot. Bonds7

About benzyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate

benzyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate (PubChem CID 170193723) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is benzyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate
PubChem CID170193723
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Namebenzyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate
SMILESCc1nc(-c2cnn(C)c2CN(C)C(=O)OCc2ccccc2)ccc1OC1CCCCC1
InChIInChI=1S/C26H32N4O3/c1-19-25(33-21-12-8-5-9-13-21)15-14-23(28-19)22-16-27-30(3)24(22)17-29(2)26(31)32-18-20-10-6-4-7-11-20/h4,6-7,10-11,14-16,21H,5,8-9,12-13,17-18H2,1-3H3
InChIKeyBFCOGDUJWVZBNU-UHFFFAOYSA-N
XLogP5.27
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze benzyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate with MolForge

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Related Compounds

butyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate
CID 170193605
[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl N-benzyl-N-methylcarbamate
CID 175877043
trans-(1S,3S)-3-[[2-methyl-6-[3-methyl-4-[[methyl(phenylmethoxycarbonyl)amino]methyl]-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 151212977
2,2-dimethylpropyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate
CID 170193695
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-(3-fluorobutyl)-N-methylcarbamate
CID 154935891
trans-(1S,3S)-3-[[2-amino-6-[5-[[cyclobutyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 155009586
trans-(1S,3S)-3-[[6-[3-[[benzyl(methyl)carbamoyl]oxymethyl]-5-chlorothiophen-2-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 163298030
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-(3-fluoro-3-methylbutyl)-N-methylcarbamate
CID 154936017
trans-(1S,3S)-3-[[6-[5-[[cyclobutyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 163518324
[4-(5-cyclohexyloxy-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-butyl-N-methylcarbamate
CID 175877099
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-ethyl-N-propylcarbamate
CID 154935976
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate
CID 167131334

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate?
The IUPAC name of benzyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate (CID 170193723) is benzyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate is Cc1nc(-c2cnn(C)c2CN(C)C(=O)OCc2ccccc2)ccc1OC1CCCCC1.
What is the InChIKey of benzyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate?
The InChIKey is BFCOGDUJWVZBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-19-25(33-21-12-8-5-9-13-21)15-14-23(28-19)22-16-27-30(3)24(22)17-29(2)26(31)32-18-20-10-6-4-7-11-20/h4,6-7,10-11,14-16,21H,5,8-9,12-13,17-18H2,1-3H3.
What are the key properties of benzyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate?
benzyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate has a molecular weight of 448.57 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 170193723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).