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

C15H20N4O2 — CID 171682426

IUPACtert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)-2-pyridinyl]carbamate
SMILESCc1cc(-c2ccc(NC(=O)OC(C)(C)C)nc2)n(C)n1
InChIInChI=1S/C15H20N4O2/c1-10-8-12(19(5)18-10)11-6-7-13(16-9-11)17-14(20)21-15(2,3)4/h6-9H,1-5H3,(H,16,17,20)
InChIKeyASBKMVMHMWDCII-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.14
Rot. Bonds2

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

tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)-2-pyridinyl]carbamate (PubChem CID 171682426) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)-2-pyridinyl]carbamate
PubChem CID171682426
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Nametert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)-2-pyridinyl]carbamate
SMILESCc1cc(-c2ccc(NC(=O)OC(C)(C)C)nc2)n(C)n1
InChIInChI=1S/C15H20N4O2/c1-10-8-12(19(5)18-10)11-6-7-13(16-9-11)17-14(20)21-15(2,3)4/h6-9H,1-5H3,(H,16,17,20)
InChIKeyASBKMVMHMWDCII-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)pyrazin-2-yl]carbamate
CID 58970574
tert-butyl N-[2-(2,5-dimethylpyrazol-3-yl)-3-pyridinyl]carbamate
CID 171682324
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]carbamate
CID 86671106
tert-butyl N-[5-(2-methylsulfonylphenyl)-2-pyridinyl]carbamate
CID 18549242
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
tert-butyl N-[5-(2,5-dimethylanilino)-2-pyridinyl]carbamate
CID 113032056
tert-butyl N-[5-(1-chloroethyl)-2-pyridinyl]carbamate
CID 178071288
[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium
CID 42553117
tert-butyl N-(5-amino-1-methylpyrazol-3-yl)carbamate
CID 146680472
tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate
CID 70798094
tert-butyl N-(5-prop-1-ynyl-2-pyridinyl)carbamate
CID 174419990

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)-2-pyridinyl]carbamate (CID 171682426) is tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)-2-pyridinyl]carbamate is Cc1cc(-c2ccc(NC(=O)OC(C)(C)C)nc2)n(C)n1.
What is the InChIKey of tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)-2-pyridinyl]carbamate?
The InChIKey is ASBKMVMHMWDCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-8-12(19(5)18-10)11-6-7-13(16-9-11)17-14(20)21-15(2,3)4/h6-9H,1-5H3,(H,16,17,20).
What are the key properties of tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)-2-pyridinyl]carbamate?
tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)-2-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-[5-(2,5-dimethylpyrazol-3-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 171682426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).