tert-butyl N-[2-methyl-1-[5-(2-methylpyrimidin-5-yl)pyrazol-1-yl]propan-2-yl]carbamate

C17H25N5O2 — CID 178139738

IUPACtert-butyl N-[2-methyl-1-[5-(2-methylpyrimidin-5-yl)pyrazol-1-yl]propan-2-yl]carbamate
SMILESCc1ncc(-c2ccnn2CC(C)(C)NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C17H25N5O2/c1-12-18-9-13(10-19-12)14-7-8-20-22(14)11-17(5,6)21-15(23)24-16(2,3)4/h7-10H,11H2,1-6H3,(H,21,23)
InChIKeyGJMKVOPVNQPLDX-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.95
Rot. Bonds4

About tert-butyl N-[2-methyl-1-[5-(2-methylpyrimidin-5-yl)pyrazol-1-yl]propan-2-yl]carbamate

tert-butyl N-[2-methyl-1-[5-(2-methylpyrimidin-5-yl)pyrazol-1-yl]propan-2-yl]carbamate (PubChem CID 178139738) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-[5-(2-methylpyrimidin-5-yl)pyrazol-1-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-[5-(2-methylpyrimidin-5-yl)pyrazol-1-yl]propan-2-yl]carbamate
PubChem CID178139738
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Nametert-butyl N-[2-methyl-1-[5-(2-methylpyrimidin-5-yl)pyrazol-1-yl]propan-2-yl]carbamate
SMILESCc1ncc(-c2ccnn2CC(C)(C)NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C17H25N5O2/c1-12-18-9-13(10-19-12)14-7-8-20-22(14)11-17(5,6)21-15(23)24-16(2,3)4/h7-10H,11H2,1-6H3,(H,21,23)
InChIKeyGJMKVOPVNQPLDX-UHFFFAOYSA-N
XLogP2.95
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-(5-chloropyrazol-1-yl)-2-methylpropan-2-yl]carbamate
CID 178139555
tert-butyl N-[2-[2-(2-hydroxyethyl)pyrazol-3-yl]propan-2-yl]carbamate
CID 166542901
tert-butyl N-[2-(2,2-difluoroethyl)pyrazol-3-yl]carbamate
CID 163333219
tert-butyl N-[1-[(5-cyano-2-pyridinyl)amino]-2-methylpropan-2-yl]carbamate
CID 71985351
tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate
CID 143029344
4-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoic acid
CID 23087075
tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate
CID 103845092
tert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate
CID 103845203
tert-butyl N-[2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methylamino]propan-2-yl]carbamate
CID 103740257
tert-butyl 3-(5-methylpyrazol-1-yl)propanoate
CID 116662728
tert-butyl N-(2-methyl-4-oxobutan-2-yl)carbamate
CID 11788901
tert-butyl N-[4-[(5-iodo-2-pyridinyl)amino]-2-methylbutan-2-yl]carbamate
CID 58464113

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-[5-(2-methylpyrimidin-5-yl)pyrazol-1-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-[5-(2-methylpyrimidin-5-yl)pyrazol-1-yl]propan-2-yl]carbamate (CID 178139738) is tert-butyl N-[2-methyl-1-[5-(2-methylpyrimidin-5-yl)pyrazol-1-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-[5-(2-methylpyrimidin-5-yl)pyrazol-1-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-[5-(2-methylpyrimidin-5-yl)pyrazol-1-yl]propan-2-yl]carbamate is Cc1ncc(-c2ccnn2CC(C)(C)NC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[2-methyl-1-[5-(2-methylpyrimidin-5-yl)pyrazol-1-yl]propan-2-yl]carbamate?
The InChIKey is GJMKVOPVNQPLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12-18-9-13(10-19-12)14-7-8-20-22(14)11-17(5,6)21-15(23)24-16(2,3)4/h7-10H,11H2,1-6H3,(H,21,23).
What are the key properties of tert-butyl N-[2-methyl-1-[5-(2-methylpyrimidin-5-yl)pyrazol-1-yl]propan-2-yl]carbamate?
tert-butyl N-[2-methyl-1-[5-(2-methylpyrimidin-5-yl)pyrazol-1-yl]propan-2-yl]carbamate has a molecular weight of 331.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-1-[5-(2-methylpyrimidin-5-yl)pyrazol-1-yl]propan-2-yl]carbamate is sourced from PubChem (CID 178139738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).