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

C14H26N4O4S — CID 107256246

IUPACtert-butyl N-[1-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]pyrazol-5-yl]carbamate
SMILESCC(CS(C)(=O)=O)NCc1cnn(C)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N4O4S/c1-10(9-23(6,20)21)15-7-11-8-16-18(5)12(11)17-13(19)22-14(2,3)4/h8,10,15H,7,9H2,1-6H3,(H,17,19)
InChIKeyCCIYDBSBADAIOM-UHFFFAOYSA-N
MW346.45 g/mol
LogP1.29
Rot. Bonds6

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

tert-butyl N-[1-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]pyrazol-5-yl]carbamate (PubChem CID 107256246) has the molecular formula C14H26N4O4S and a molecular weight of 346.45 g/mol. Its IUPAC name is tert-butyl N-[1-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]pyrazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]pyrazol-5-yl]carbamate
PubChem CID107256246
Molecular FormulaC14H26N4O4S
Molecular Weight346.45 g/mol
Exact Mass346.17
IUPAC Nametert-butyl N-[1-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]pyrazol-5-yl]carbamate
SMILESCC(CS(C)(=O)=O)NCc1cnn(C)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N4O4S/c1-10(9-23(6,20)21)15-7-11-8-16-18(5)12(11)17-13(19)22-14(2,3)4/h8,10,15H,7,9H2,1-6H3,(H,17,19)
InChIKeyCCIYDBSBADAIOM-UHFFFAOYSA-N
XLogP1.29
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[1-methyl-4-[[(1-methylimidazol-2-yl)methylamino]methyl]pyrazol-5-yl]carbamate
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tert-butyl N-[4-[[(3-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate
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tert-butyl N-[4-[[(2-ethylcyclopentyl)amino]methyl]-1-methylpyrazol-5-yl]carbamate
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tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate
CID 135361965
tert-butyl N-[5-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate
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tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate
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tert-butyl N-[3-methyl-1-(1-methylsulfonylpropan-2-ylamino)butan-2-yl]carbamate
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tert-butyl N-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]carbamate
CID 83384087
tert-butyl N-[1-(2-methyl-1-methylsulfonylpropan-2-yl)pyrazol-4-yl]carbamate
CID 131734075
tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
CID 67304447
tert-butyl N-[4-[(hex-5-en-2-ylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107255938

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]pyrazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[1-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]pyrazol-5-yl]carbamate (CID 107256246) is tert-butyl N-[1-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]pyrazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]pyrazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]pyrazol-5-yl]carbamate is CC(CS(C)(=O)=O)NCc1cnn(C)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]pyrazol-5-yl]carbamate?
The InChIKey is CCIYDBSBADAIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O4S/c1-10(9-23(6,20)21)15-7-11-8-16-18(5)12(11)17-13(19)22-14(2,3)4/h8,10,15H,7,9H2,1-6H3,(H,17,19).
What are the key properties of tert-butyl N-[1-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]pyrazol-5-yl]carbamate?
tert-butyl N-[1-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]pyrazol-5-yl]carbamate has a molecular weight of 346.45 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]pyrazol-5-yl]carbamate is sourced from PubChem (CID 107256246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).