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

C14H19N5O2 — CID 58970574

IUPACtert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]carbamate
SMILESCc1cc(-c2cnc(NC(=O)OC(C)(C)C)cn2)n(C)n1
InChIInChI=1S/C14H19N5O2/c1-9-6-11(19(5)18-9)10-7-16-12(8-15-10)17-13(20)21-14(2,3)4/h6-8H,1-5H3,(H,16,17,20)
InChIKeyDOXAVYVUVRVVPQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.53
Rot. Bonds2

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

tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]carbamate (PubChem CID 58970574) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]carbamate
PubChem CID58970574
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Nametert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]carbamate
SMILESCc1cc(-c2cnc(NC(=O)OC(C)(C)C)cn2)n(C)n1
InChIInChI=1S/C14H19N5O2/c1-9-6-11(19(5)18-9)10-7-16-12(8-15-10)17-13(20)21-14(2,3)4/h6-8H,1-5H3,(H,16,17,20)
InChIKeyDOXAVYVUVRVVPQ-UHFFFAOYSA-N
XLogP2.53
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)-2-pyridinyl]carbamate
CID 171682426
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-3,5-dimethyl-2H-pyrrole-4-carboxamide
CID 90394502
3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]triazole-4-carboxylic acid
CID 162377490
tert-butyl N-[2-(2,5-dimethylpyrazol-3-yl)-3-pyridinyl]carbamate
CID 171682324
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
tert-butyl N-(5-amino-1-methylpyrazol-3-yl)carbamate
CID 146680472
tert-butyl N-[5-[2-(6-methoxypyridazin-3-yl)pyrazol-3-yl]pyrazin-2-yl]carbamate
CID 141133546
tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]carbamate;ethane
CID 143167789
tert-butyl N-[5-[3-(trifluoromethyl)-2-pyridinyl]pyrazin-2-yl]carbamate
CID 175983977
tert-butyl N-[5-(2-methylsulfanylethyl)pyrazin-2-yl]carbamate
CID 118045562
ethyl 1-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylate
CID 14488339

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]carbamate (CID 58970574) is tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]carbamate is Cc1cc(-c2cnc(NC(=O)OC(C)(C)C)cn2)n(C)n1.
What is the InChIKey of tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]carbamate?
The InChIKey is DOXAVYVUVRVVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9-6-11(19(5)18-9)10-7-16-12(8-15-10)17-13(20)21-14(2,3)4/h6-8H,1-5H3,(H,16,17,20).
What are the key properties of tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]carbamate?
tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]carbamate has a molecular weight of 289.34 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]carbamate is sourced from PubChem (CID 58970574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).