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

C16H22N4O3 — CID 139312690

IUPAC2-methylpropyl N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate
SMILESCc1nc(-c2cnn(C)c2CNC(=O)OCC(C)C)ccc1O
InChIInChI=1S/C16H22N4O3/c1-10(2)9-23-16(22)17-8-14-12(7-18-20(14)4)13-5-6-15(21)11(3)19-13/h5-7,10,21H,8-9H2,1-4H3,(H,17,22)
InChIKeyKNOBWQMSLFHQIF-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.38
Rot. Bonds5

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

2-methylpropyl N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate (PubChem CID 139312690) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-methylpropyl N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate
PubChem CID139312690
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name2-methylpropyl N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate
SMILESCc1nc(-c2cnn(C)c2CNC(=O)OCC(C)C)ccc1O
InChIInChI=1S/C16H22N4O3/c1-10(2)9-23-16(22)17-8-14-12(7-18-20(14)4)13-5-6-15(21)11(3)19-13/h5-7,10,21H,8-9H2,1-4H3,(H,17,22)
InChIKeyKNOBWQMSLFHQIF-UHFFFAOYSA-N
XLogP2.38
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate?
The IUPAC name of 2-methylpropyl N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate (CID 139312690) is 2-methylpropyl N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate is Cc1nc(-c2cnn(C)c2CNC(=O)OCC(C)C)ccc1O.
What is the InChIKey of 2-methylpropyl N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate?
The InChIKey is KNOBWQMSLFHQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10(2)9-23-16(22)17-8-14-12(7-18-20(14)4)13-5-6-15(21)11(3)19-13/h5-7,10,21H,8-9H2,1-4H3,(H,17,22).
What are the key properties of 2-methylpropyl N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate?
2-methylpropyl N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate has a molecular weight of 318.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate is sourced from PubChem (CID 139312690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).