tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate

C16H28N4O2 — CID 86794469

IUPACtert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate
SMILESCCc1nn(C)cc1NC1CCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H28N4O2/c1-6-11-14(10-20(5)19-11)17-12-8-7-9-13(12)18-15(21)22-16(2,3)4/h10,12-13,17H,6-9H2,1-5H3,(H,18,21)
InChIKeyMHQOEITZBOHUAJ-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.84
Rot. Bonds4

About tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate

tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate (PubChem CID 86794469) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate
PubChem CID86794469
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Nametert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate
SMILESCCc1nn(C)cc1NC1CCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H28N4O2/c1-6-11-14(10-20(5)19-11)17-12-8-7-9-13(12)18-15(21)22-16(2,3)4/h10,12-13,17H,6-9H2,1-5H3,(H,18,21)
InChIKeyMHQOEITZBOHUAJ-UHFFFAOYSA-N
XLogP2.84
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate (CID 86794469) is tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate is CCc1nn(C)cc1NC1CCCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate?
The InChIKey is MHQOEITZBOHUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-6-11-14(10-20(5)19-11)17-12-8-7-9-13(12)18-15(21)22-16(2,3)4/h10,12-13,17H,6-9H2,1-5H3,(H,18,21).
What are the key properties of tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate?
tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate has a molecular weight of 308.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate is sourced from PubChem (CID 86794469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).