tert-butyl N-[2-(2,5-dimethylpyrazol-3-yl)-3-pyridinyl]carbamate

C15H20N4O2 — CID 171682324

IUPACtert-butyl N-[2-(2,5-dimethylpyrazol-3-yl)-3-pyridinyl]carbamate
SMILESCc1cc(-c2ncccc2NC(=O)OC(C)(C)C)n(C)n1
InChIInChI=1S/C15H20N4O2/c1-10-9-12(19(5)18-10)13-11(7-6-8-16-13)17-14(20)21-15(2,3)4/h6-9H,1-5H3,(H,17,20)
InChIKeyJITGYVDMRHTZIU-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.14
Rot. Bonds2

About tert-butyl N-[2-(2,5-dimethylpyrazol-3-yl)-3-pyridinyl]carbamate

tert-butyl N-[2-(2,5-dimethylpyrazol-3-yl)-3-pyridinyl]carbamate (PubChem CID 171682324) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is tert-butyl N-[2-(2,5-dimethylpyrazol-3-yl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,5-dimethylpyrazol-3-yl)-3-pyridinyl]carbamate
PubChem CID171682324
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Nametert-butyl N-[2-(2,5-dimethylpyrazol-3-yl)-3-pyridinyl]carbamate
SMILESCc1cc(-c2ncccc2NC(=O)OC(C)(C)C)n(C)n1
InChIInChI=1S/C15H20N4O2/c1-10-9-12(19(5)18-10)13-11(7-6-8-16-13)17-14(20)21-15(2,3)4/h6-9H,1-5H3,(H,17,20)
InChIKeyJITGYVDMRHTZIU-UHFFFAOYSA-N
XLogP3.14
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)-2-pyridinyl]carbamate
CID 171682426
tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 58970574
tert-butyl N-(2-oxoazepin-3-yl)carbamate
CID 21224786
tert-butyl N-(2-ethynyl-3-pyridinyl)carbamate
CID 87248899
tert-butyl N-[2-(bromomethyl)-3-pyridinyl]carbamate
CID 133061112
tert-butyl N-[2-(1-methylimidazol-2-yl)phenyl]carbamate
CID 67263638
1-[2-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 175221672
tert-butyl N-(8-hydroxyquinolin-5-yl)carbamate
CID 66916666
ethyl (E)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]prop-2-enoate
CID 175668642
tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
CID 67304447
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-(1,2-dimethylindol-7-yl)carbamate
CID 174933976

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,5-dimethylpyrazol-3-yl)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,5-dimethylpyrazol-3-yl)-3-pyridinyl]carbamate (CID 171682324) is tert-butyl N-[2-(2,5-dimethylpyrazol-3-yl)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,5-dimethylpyrazol-3-yl)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,5-dimethylpyrazol-3-yl)-3-pyridinyl]carbamate is Cc1cc(-c2ncccc2NC(=O)OC(C)(C)C)n(C)n1.
What is the InChIKey of tert-butyl N-[2-(2,5-dimethylpyrazol-3-yl)-3-pyridinyl]carbamate?
The InChIKey is JITGYVDMRHTZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-9-12(19(5)18-10)13-11(7-6-8-16-13)17-14(20)21-15(2,3)4/h6-9H,1-5H3,(H,17,20).
What are the key properties of tert-butyl N-[2-(2,5-dimethylpyrazol-3-yl)-3-pyridinyl]carbamate?
tert-butyl N-[2-(2,5-dimethylpyrazol-3-yl)-3-pyridinyl]carbamate has a molecular weight of 288.35 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2,5-dimethylpyrazol-3-yl)-3-pyridinyl]carbamate is sourced from PubChem (CID 171682324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).