tert-butyl N-[4-(4-propan-2-ylpyrazol-1-yl)-2-pyridinyl]carbamate

C16H22N4O2 — CID 162781184

IUPACtert-butyl N-[4-(4-propan-2-ylpyrazol-1-yl)-2-pyridinyl]carbamate
SMILESCC(C)c1cnn(-c2ccnc(NC(=O)OC(C)(C)C)c2)c1
InChIInChI=1S/C16H22N4O2/c1-11(2)12-9-18-20(10-12)13-6-7-17-14(8-13)19-15(21)22-16(3,4)5/h6-11H,1-5H3,(H,17,19,21)
InChIKeySAJVBBZAIDQWGO-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.74
Rot. Bonds3

About tert-butyl N-[4-(4-propan-2-ylpyrazol-1-yl)-2-pyridinyl]carbamate

tert-butyl N-[4-(4-propan-2-ylpyrazol-1-yl)-2-pyridinyl]carbamate (PubChem CID 162781184) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is tert-butyl N-[4-(4-propan-2-ylpyrazol-1-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-propan-2-ylpyrazol-1-yl)-2-pyridinyl]carbamate
PubChem CID162781184
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Nametert-butyl N-[4-(4-propan-2-ylpyrazol-1-yl)-2-pyridinyl]carbamate
SMILESCC(C)c1cnn(-c2ccnc(NC(=O)OC(C)(C)C)c2)c1
InChIInChI=1S/C16H22N4O2/c1-11(2)12-9-18-20(10-12)13-6-7-17-14(8-13)19-15(21)22-16(3,4)5/h6-11H,1-5H3,(H,17,19,21)
InChIKeySAJVBBZAIDQWGO-UHFFFAOYSA-N
XLogP3.74
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,5-Dimethyl-3-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-2-pyridinyl]-1,3-oxazolidin-2-one
CID 58464040
[4-[2-(3-Methylphenyl)pyrazol-3-yl]-2-pyridinyl]urea
CID 68031140
[4-[2-(4-Methylphenyl)pyrazol-3-yl]-2-pyridinyl]urea
CID 68031142
{4-[2-(4-Fluoro-phenyl)-2H-pyrazol-3-yl]-pyridin-2-yl}-urea
CID 69084231
[4-[2-(3-Fluorophenyl)pyrazol-3-yl]-2-pyridinyl]urea
CID 69675757
[4-[2-(2-Fluorophenyl)pyrazol-3-yl]-2-pyridinyl]urea
CID 69675824
[4-[2-(2-Methylphenyl)pyrazol-3-yl]-2-pyridinyl]urea
CID 69675874
[4-(2-Phenylpyrazol-3-yl)-2-pyridinyl]urea
CID 69675876
(4S)-3-[2-[1-(1-phenylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89480300
4,4-Dimethyl-3-[2-[1-(1-phenylpyrazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90347581
N-(4-methyl-2-pyridinyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16614830
5-(1H-pyrazol-1-yl)-1,6-naphthyridin-2(1H)-one
CID 10330804

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-propan-2-ylpyrazol-1-yl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-propan-2-ylpyrazol-1-yl)-2-pyridinyl]carbamate (CID 162781184) is tert-butyl N-[4-(4-propan-2-ylpyrazol-1-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-propan-2-ylpyrazol-1-yl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-propan-2-ylpyrazol-1-yl)-2-pyridinyl]carbamate is CC(C)c1cnn(-c2ccnc(NC(=O)OC(C)(C)C)c2)c1.
What is the InChIKey of tert-butyl N-[4-(4-propan-2-ylpyrazol-1-yl)-2-pyridinyl]carbamate?
The InChIKey is SAJVBBZAIDQWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11(2)12-9-18-20(10-12)13-6-7-17-14(8-13)19-15(21)22-16(3,4)5/h6-11H,1-5H3,(H,17,19,21).
What are the key properties of tert-butyl N-[4-(4-propan-2-ylpyrazol-1-yl)-2-pyridinyl]carbamate?
tert-butyl N-[4-(4-propan-2-ylpyrazol-1-yl)-2-pyridinyl]carbamate has a molecular weight of 302.38 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-propan-2-ylpyrazol-1-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 162781184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).