2-hydroxypropan-2-yl N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-N-propan-2-ylcarbamate

C16H22N4O3 — CID 90359834

IUPAC2-hydroxypropan-2-yl N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-N-propan-2-ylcarbamate
SMILESCc1nn(-c2cccnc2)cc1N(C(=O)OC(C)(C)O)C(C)C
InChIInChI=1S/C16H22N4O3/c1-11(2)20(15(21)23-16(4,5)22)14-10-19(18-12(14)3)13-7-6-8-17-9-13/h6-11,22H,1-5H3
InChIKeyRWLYZZCMLKPHJD-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.66
Rot. Bonds4

About 2-hydroxypropan-2-yl N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-N-propan-2-ylcarbamate

2-hydroxypropan-2-yl N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-N-propan-2-ylcarbamate (PubChem CID 90359834) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-hydroxypropan-2-yl N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-N-propan-2-ylcarbamate.

Molecular Properties

Compound Name2-hydroxypropan-2-yl N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-N-propan-2-ylcarbamate
PubChem CID90359834
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name2-hydroxypropan-2-yl N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-N-propan-2-ylcarbamate
SMILESCc1nn(-c2cccnc2)cc1N(C(=O)OC(C)(C)O)C(C)C
InChIInChI=1S/C16H22N4O3/c1-11(2)20(15(21)23-16(4,5)22)14-10-19(18-12(14)3)13-7-6-8-17-9-13/h6-11,22H,1-5H3
InChIKeyRWLYZZCMLKPHJD-UHFFFAOYSA-N
XLogP2.66
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropan-2-yl N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-N-propan-2-ylcarbamate?
The IUPAC name of 2-hydroxypropan-2-yl N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-N-propan-2-ylcarbamate (CID 90359834) is 2-hydroxypropan-2-yl N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-N-propan-2-ylcarbamate.
What is the SMILES notation for 2-hydroxypropan-2-yl N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-N-propan-2-ylcarbamate?
The canonical SMILES for 2-hydroxypropan-2-yl N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-N-propan-2-ylcarbamate is Cc1nn(-c2cccnc2)cc1N(C(=O)OC(C)(C)O)C(C)C.
What is the InChIKey of 2-hydroxypropan-2-yl N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-N-propan-2-ylcarbamate?
The InChIKey is RWLYZZCMLKPHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11(2)20(15(21)23-16(4,5)22)14-10-19(18-12(14)3)13-7-6-8-17-9-13/h6-11,22H,1-5H3.
What are the key properties of 2-hydroxypropan-2-yl N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-N-propan-2-ylcarbamate?
2-hydroxypropan-2-yl N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-N-propan-2-ylcarbamate has a molecular weight of 318.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropan-2-yl N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-N-propan-2-ylcarbamate is sourced from PubChem (CID 90359834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).