tert-butyl N-[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-methylcarbamate

C16H26N4O3 — CID 56783438

IUPACtert-butyl N-[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-methylcarbamate
SMILESCC(C1CC1)n1nccc1NC(=O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H26N4O3/c1-11(12-6-7-12)20-13(8-9-17-20)18-14(21)10-19(5)15(22)23-16(2,3)4/h8-9,11-12H,6-7,10H2,1-5H3,(H,18,21)
InChIKeyORGSPBMIUZVFPK-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.66
Rot. Bonds5

About tert-butyl N-[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-methylcarbamate

tert-butyl N-[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-methylcarbamate (PubChem CID 56783438) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-methylcarbamate
PubChem CID56783438
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Nametert-butyl N-[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-methylcarbamate
SMILESCC(C1CC1)n1nccc1NC(=O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H26N4O3/c1-11(12-6-7-12)20-13(8-9-17-20)18-14(21)10-19(5)15(22)23-16(2,3)4/h8-9,11-12H,6-7,10H2,1-5H3,(H,18,21)
InChIKeyORGSPBMIUZVFPK-UHFFFAOYSA-N
XLogP2.66
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-methylcarbamate (CID 56783438) is tert-butyl N-[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-methylcarbamate is CC(C1CC1)n1nccc1NC(=O)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-methylcarbamate?
The InChIKey is ORGSPBMIUZVFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-11(12-6-7-12)20-13(8-9-17-20)18-14(21)10-19(5)15(22)23-16(2,3)4/h8-9,11-12H,6-7,10H2,1-5H3,(H,18,21).
What are the key properties of tert-butyl N-[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-methylcarbamate?
tert-butyl N-[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-methylcarbamate has a molecular weight of 322.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-methylcarbamate is sourced from PubChem (CID 56783438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).