2,2-dimethylpropyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate

C23H34N4O3 — CID 170193695

IUPAC2,2-dimethylpropyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate
SMILESCc1nc(-c2cnn(C)c2CNC(=O)OCC(C)(C)C)ccc1OC1CCCCC1
InChIInChI=1S/C23H34N4O3/c1-16-21(30-17-9-7-6-8-10-17)12-11-19(26-16)18-13-25-27(5)20(18)14-24-22(28)29-15-23(2,3)4/h11-13,17H,6-10,14-15H2,1-5H3,(H,24,28)
InChIKeyBCZFNXGYTNEOTH-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.77
Rot. Bonds6

About 2,2-dimethylpropyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate

2,2-dimethylpropyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate (PubChem CID 170193695) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2,2-dimethylpropyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Name2,2-dimethylpropyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate
PubChem CID170193695
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name2,2-dimethylpropyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate
SMILESCc1nc(-c2cnn(C)c2CNC(=O)OCC(C)(C)C)ccc1OC1CCCCC1
InChIInChI=1S/C23H34N4O3/c1-16-21(30-17-9-7-6-8-10-17)12-11-19(26-16)18-13-25-27(5)20(18)14-24-22(28)29-15-23(2,3)4/h11-13,17H,6-10,14-15H2,1-5H3,(H,24,28)
InChIKeyBCZFNXGYTNEOTH-UHFFFAOYSA-N
XLogP4.77
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,2-dimethylpropyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate 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
butyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate
CID 170193605
2-methylpropyl N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate
CID 139312690
trans-(1S,3S)-3-[[6-[5-[(2,2-dimethylpropoxycarbonylamino)methyl]-1-methyltriazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 138719128
benzyl N-[[2-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-5-methylthiophen-3-yl]methyl]carbamate
CID 167072060
trans-(1S,3S)-3-[[6-[5-[[[tert-butyl(methyl)carbamoyl]amino]methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 138684781
trans-(1S,3S)-3-[[2-methyl-6-[1-methyl-5-[(1-phenylethoxycarbonylamino)methyl]triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 146574449
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-(1-fluoro-2-methylpropan-2-yl)-N-methylcarbamate
CID 135379546
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(2-methylpentan-2-yl)carbamate
CID 145423839
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
2-[5-(bromomethyl)-1-methylpyrazol-4-yl]-5-cyclohexyloxy-4-methylpyrimidine
CID 167132021
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-(3-fluoro-3-methylbutyl)-N-methylcarbamate
CID 154936017

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate?
The IUPAC name of 2,2-dimethylpropyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate (CID 170193695) is 2,2-dimethylpropyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate.
What is the SMILES notation for 2,2-dimethylpropyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate?
The canonical SMILES for 2,2-dimethylpropyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate is Cc1nc(-c2cnn(C)c2CNC(=O)OCC(C)(C)C)ccc1OC1CCCCC1.
What is the InChIKey of 2,2-dimethylpropyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate?
The InChIKey is BCZFNXGYTNEOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-16-21(30-17-9-7-6-8-10-17)12-11-19(26-16)18-13-25-27(5)20(18)14-24-22(28)29-15-23(2,3)4/h11-13,17H,6-10,14-15H2,1-5H3,(H,24,28).
What are the key properties of 2,2-dimethylpropyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate?
2,2-dimethylpropyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate has a molecular weight of 414.55 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate is sourced from PubChem (CID 170193695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).