tert-butyl N-[1-[(4-methyl-2-methylsulfonylpyrimidin-5-yl)methyl]pyrazol-4-yl]carbamate

C15H21N5O4S — CID 162520246

IUPACtert-butyl N-[1-[(4-methyl-2-methylsulfonylpyrimidin-5-yl)methyl]pyrazol-4-yl]carbamate
SMILESCc1nc(S(C)(=O)=O)ncc1Cn1cc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C15H21N5O4S/c1-10-11(6-16-13(18-10)25(5,22)23)8-20-9-12(7-17-20)19-14(21)24-15(2,3)4/h6-7,9H,8H2,1-5H3,(H,19,21)
InChIKeyNXEMTJMMWOIGDG-UHFFFAOYSA-N
MW367.43 g/mol
LogP1.78
Rot. Bonds4

About tert-butyl N-[1-[(4-methyl-2-methylsulfonylpyrimidin-5-yl)methyl]pyrazol-4-yl]carbamate

tert-butyl N-[1-[(4-methyl-2-methylsulfonylpyrimidin-5-yl)methyl]pyrazol-4-yl]carbamate (PubChem CID 162520246) has the molecular formula C15H21N5O4S and a molecular weight of 367.43 g/mol. Its IUPAC name is tert-butyl N-[1-[(4-methyl-2-methylsulfonylpyrimidin-5-yl)methyl]pyrazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(4-methyl-2-methylsulfonylpyrimidin-5-yl)methyl]pyrazol-4-yl]carbamate
PubChem CID162520246
Molecular FormulaC15H21N5O4S
Molecular Weight367.43 g/mol
Exact Mass367.13
IUPAC Nametert-butyl N-[1-[(4-methyl-2-methylsulfonylpyrimidin-5-yl)methyl]pyrazol-4-yl]carbamate
SMILESCc1nc(S(C)(=O)=O)ncc1Cn1cc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C15H21N5O4S/c1-10-11(6-16-13(18-10)25(5,22)23)8-20-9-12(7-17-20)19-14(21)24-15(2,3)4/h6-7,9H,8H2,1-5H3,(H,19,21)
InChIKeyNXEMTJMMWOIGDG-UHFFFAOYSA-N
XLogP1.78
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate
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tert-butyl N-[1-(2-methyl-1-methylsulfonylpropan-2-yl)pyrazol-4-yl]carbamate
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tert-butyl N-[1-[2-[[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrazol-4-yl]carbamate
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tert-butyl N-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]carbamate
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methyl 8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridine-3-carboxylate
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tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(4-methyl-2-methylsulfonylpyrimidin-5-yl)methyl]pyrazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(4-methyl-2-methylsulfonylpyrimidin-5-yl)methyl]pyrazol-4-yl]carbamate (CID 162520246) is tert-butyl N-[1-[(4-methyl-2-methylsulfonylpyrimidin-5-yl)methyl]pyrazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(4-methyl-2-methylsulfonylpyrimidin-5-yl)methyl]pyrazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(4-methyl-2-methylsulfonylpyrimidin-5-yl)methyl]pyrazol-4-yl]carbamate is Cc1nc(S(C)(=O)=O)ncc1Cn1cc(NC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[1-[(4-methyl-2-methylsulfonylpyrimidin-5-yl)methyl]pyrazol-4-yl]carbamate?
The InChIKey is NXEMTJMMWOIGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4S/c1-10-11(6-16-13(18-10)25(5,22)23)8-20-9-12(7-17-20)19-14(21)24-15(2,3)4/h6-7,9H,8H2,1-5H3,(H,19,21).
What are the key properties of tert-butyl N-[1-[(4-methyl-2-methylsulfonylpyrimidin-5-yl)methyl]pyrazol-4-yl]carbamate?
tert-butyl N-[1-[(4-methyl-2-methylsulfonylpyrimidin-5-yl)methyl]pyrazol-4-yl]carbamate has a molecular weight of 367.43 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(4-methyl-2-methylsulfonylpyrimidin-5-yl)methyl]pyrazol-4-yl]carbamate is sourced from PubChem (CID 162520246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).