[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-methyl-N-(oxolan-3-ylmethyl)carbamate

C18H24N4O4 — CID 155009726

IUPAC[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-methyl-N-(oxolan-3-ylmethyl)carbamate
SMILESCc1nc(-c2cnn(C)c2COC(=O)N(C)CC2CCOC2)ccc1O
InChIInChI=1S/C18H24N4O4/c1-12-17(23)5-4-15(20-12)14-8-19-22(3)16(14)11-26-18(24)21(2)9-13-6-7-25-10-13/h4-5,8,13,23H,6-7,9-11H2,1-3H3
InChIKeyJHODGQMGIOEYAK-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.10
Rot. Bonds5

About [4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-methyl-N-(oxolan-3-ylmethyl)carbamate

[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-methyl-N-(oxolan-3-ylmethyl)carbamate (PubChem CID 155009726) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is [4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-methyl-N-(oxolan-3-ylmethyl)carbamate.

Molecular Properties

Compound Name[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-methyl-N-(oxolan-3-ylmethyl)carbamate
PubChem CID155009726
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-methyl-N-(oxolan-3-ylmethyl)carbamate
SMILESCc1nc(-c2cnn(C)c2COC(=O)N(C)CC2CCOC2)ccc1O
InChIInChI=1S/C18H24N4O4/c1-12-17(23)5-4-15(20-12)14-8-19-22(3)16(14)11-26-18(24)21(2)9-13-6-7-25-10-13/h4-5,8,13,23H,6-7,9-11H2,1-3H3
InChIKeyJHODGQMGIOEYAK-UHFFFAOYSA-N
XLogP2.10
TPSA89.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]formamide
CID 139312698
benzyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate
CID 170193723
(3S,5S)-5-[[6-[5-[[cyclobutylmethyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]oxane-3-carboxylic acid
CID 164831229
trans-(1S,3S)-3-[4-[5-[[cyclopropylmethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]phenoxy]cyclohexane-1-carboxylic acid
CID 155151283
butyl N-[[4-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]-N-methylcarbamate
CID 170193605
benzyl N-methyl-N-(oxan-4-ylmethyl)carbamate
CID 110752436
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(morpholin-3-ylmethyl)carbamate
CID 145423787
N-cyclopropyl-1,5-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazole-4-carboxamide
CID 94026181
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
1-benzyl-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 99818647
N-methyl-N-(oxolan-3-ylmethyl)acetamide
CID 129016783

Frequently Asked Questions

What is the IUPAC name of [4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-methyl-N-(oxolan-3-ylmethyl)carbamate?
The IUPAC name of [4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-methyl-N-(oxolan-3-ylmethyl)carbamate (CID 155009726) is [4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-methyl-N-(oxolan-3-ylmethyl)carbamate.
What is the SMILES notation for [4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-methyl-N-(oxolan-3-ylmethyl)carbamate?
The canonical SMILES for [4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-methyl-N-(oxolan-3-ylmethyl)carbamate is Cc1nc(-c2cnn(C)c2COC(=O)N(C)CC2CCOC2)ccc1O.
What is the InChIKey of [4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-methyl-N-(oxolan-3-ylmethyl)carbamate?
The InChIKey is JHODGQMGIOEYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-12-17(23)5-4-15(20-12)14-8-19-22(3)16(14)11-26-18(24)21(2)9-13-6-7-25-10-13/h4-5,8,13,23H,6-7,9-11H2,1-3H3.
What are the key properties of [4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-methyl-N-(oxolan-3-ylmethyl)carbamate?
[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-methyl-N-(oxolan-3-ylmethyl)carbamate has a molecular weight of 360.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl N-methyl-N-(oxolan-3-ylmethyl)carbamate is sourced from PubChem (CID 155009726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).