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

C26H33N5O3 — CID 175877043

IUPAC[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl N-benzyl-N-methylcarbamate
SMILESCCc1nc(-c2cnn(C)c2COC(=O)N(C)Cc2ccccc2)ncc1OC1CCCCC1
InChIInChI=1S/C26H33N5O3/c1-4-22-24(34-20-13-9-6-10-14-20)16-27-25(29-22)21-15-28-31(3)23(21)18-33-26(32)30(2)17-19-11-7-5-8-12-19/h5,7-8,11-12,15-16,20H,4,6,9-10,13-14,17-18H2,1-3H3
InChIKeyHKWBQLRUUJSJEU-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.92
Rot. Bonds8

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

[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl N-benzyl-N-methylcarbamate (PubChem CID 175877043) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is [4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl N-benzyl-N-methylcarbamate.

Molecular Properties

Compound Name[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl N-benzyl-N-methylcarbamate
PubChem CID175877043
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl N-benzyl-N-methylcarbamate
SMILESCCc1nc(-c2cnn(C)c2COC(=O)N(C)Cc2ccccc2)ncc1OC1CCCCC1
InChIInChI=1S/C26H33N5O3/c1-4-22-24(34-20-13-9-6-10-14-20)16-27-25(29-22)21-15-28-31(3)23(21)18-33-26(32)30(2)17-19-11-7-5-8-12-19/h5,7-8,11-12,15-16,20H,4,6,9-10,13-14,17-18H2,1-3H3
InChIKeyHKWBQLRUUJSJEU-UHFFFAOYSA-N
XLogP4.92
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate
CID 170193723
N-[[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl]-4-ethoxypyrimidin-2-amine
CID 175903037
[4-(5-cyclohexyloxy-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-butyl-N-methylcarbamate
CID 175877099
butyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate
CID 170193605
2-[5-(bromomethyl)-1-methylpyrazol-4-yl]-5-cyclohexyloxy-4-methylpyrimidine
CID 167132021
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-[2-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]-4-methylpyrimidin-5-yl]oxycyclohexane-1-carboxylic acid
CID 155142400
trans-(1S,3S)-3-[4-[5-[[cyclopropylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]phenoxy]cyclohexane-1-carboxylic acid
CID 155151283
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
5-bromo-4-ethyl-2-[1-methyl-5-(oxan-2-yloxymethyl)pyrazol-4-yl]pyrimidine
CID 169096053
trans-(1S,3S)-3-[2-[5-[2-(cyclopropylmethoxy)-2-oxoethyl]-1-methylpyrazol-4-yl]-4-methylpyrimidin-5-yl]oxycyclohexane-1-carboxylic acid
CID 158954898
ethyl 3-[4-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]phenoxy]cyclopentane-1-carboxylate
CID 175167576

Frequently Asked Questions

What is the IUPAC name of [4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl N-benzyl-N-methylcarbamate?
The IUPAC name of [4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl N-benzyl-N-methylcarbamate (CID 175877043) is [4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl N-benzyl-N-methylcarbamate.
What is the SMILES notation for [4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl N-benzyl-N-methylcarbamate?
The canonical SMILES for [4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl N-benzyl-N-methylcarbamate is CCc1nc(-c2cnn(C)c2COC(=O)N(C)Cc2ccccc2)ncc1OC1CCCCC1.
What is the InChIKey of [4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl N-benzyl-N-methylcarbamate?
The InChIKey is HKWBQLRUUJSJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-4-22-24(34-20-13-9-6-10-14-20)16-27-25(29-22)21-15-28-31(3)23(21)18-33-26(32)30(2)17-19-11-7-5-8-12-19/h5,7-8,11-12,15-16,20H,4,6,9-10,13-14,17-18H2,1-3H3.
What are the key properties of [4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl N-benzyl-N-methylcarbamate?
[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl N-benzyl-N-methylcarbamate has a molecular weight of 463.58 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl N-benzyl-N-methylcarbamate is sourced from PubChem (CID 175877043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).