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

C23H34N4O3 — CID 170193605

IUPACbutyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate
SMILESCCCCOC(=O)N(C)Cc1c(-c2ccc(OC3CCCCC3)c(C)n2)cnn1C
InChIInChI=1S/C23H34N4O3/c1-5-6-14-29-23(28)26(3)16-21-19(15-24-27(21)4)20-12-13-22(17(2)25-20)30-18-10-8-7-9-11-18/h12-13,15,18H,5-11,14,16H2,1-4H3
InChIKeySCYCTFRBXOSADS-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.87
Rot. Bonds8

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

butyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate (PubChem CID 170193605) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is butyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Namebutyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate
PubChem CID170193605
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Namebutyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate
SMILESCCCCOC(=O)N(C)Cc1c(-c2ccc(OC3CCCCC3)c(C)n2)cnn1C
InChIInChI=1S/C23H34N4O3/c1-5-6-14-29-23(28)26(3)16-21-19(15-24-27(21)4)20-12-13-22(17(2)25-20)30-18-10-8-7-9-11-18/h12-13,15,18H,5-11,14,16H2,1-4H3
InChIKeySCYCTFRBXOSADS-UHFFFAOYSA-N
XLogP4.87
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

benzyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate
CID 170193723
[4-(5-cyclohexyloxy-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-butyl-N-methylcarbamate
CID 175877099
2,2-dimethylpropyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate
CID 170193695
[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl N-benzyl-N-methylcarbamate
CID 175877043
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-(3-fluorobutyl)-N-methylcarbamate
CID 154935891
cis-(1S,3R)-3-[[2-methyl-6-[1-methyl-5-[[methyl(pentyl)carbamoyl]oxymethyl]triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;cis-(1R,3S)-3-[[2-methyl-6-[1-methyl-5-[[methyl(pentyl)carbamoyl]oxymethyl]triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[2-methyl-6-[1-methyl-5-[[methyl(pentyl)carbamoyl]oxymethyl]triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1R,3R)-3-[[2-methyl-6-[1-methyl-5-[[methyl(pentyl)carbamoyl]oxymethyl]triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 163955599
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(2-methylpentan-2-yl)carbamate
CID 145423839
[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-methyltriazol-4-yl]methyl N-(3-fluoro-3-methylbutyl)-N-methylcarbamate
CID 154936017
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-(1-ethylcyclopropyl)-N-methylcarbamate
CID 154936276
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-[5-[[cyclobutyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluoro-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 163518324

Frequently Asked Questions

What is the IUPAC name of butyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate?
The IUPAC name of butyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate (CID 170193605) is butyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for butyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate?
The canonical SMILES for butyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate is CCCCOC(=O)N(C)Cc1c(-c2ccc(OC3CCCCC3)c(C)n2)cnn1C.
What is the InChIKey of butyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate?
The InChIKey is SCYCTFRBXOSADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-5-6-14-29-23(28)26(3)16-21-19(15-24-27(21)4)20-12-13-22(17(2)25-20)30-18-10-8-7-9-11-18/h12-13,15,18H,5-11,14,16H2,1-4H3.
What are the key properties of butyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate?
butyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate has a molecular weight of 414.55 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 170193605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).