propan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate

C16H28N4O2 — CID 164518714

IUPACpropan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate
SMILESCC(C)OC(=O)NC1CCC(c2cc(N)n(C(C)(C)C)n2)C1
InChIInChI=1S/C16H28N4O2/c1-10(2)22-15(21)18-12-7-6-11(8-12)13-9-14(17)20(19-13)16(3,4)5/h9-12H,6-8,17H2,1-5H3,(H,18,21)
InChIKeyLFMMHJACFWQGKT-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.99
Rot. Bonds3

About propan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate

propan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate (PubChem CID 164518714) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is propan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate
PubChem CID164518714
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Namepropan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate
SMILESCC(C)OC(=O)NC1CCC(c2cc(N)n(C(C)(C)C)n2)C1
InChIInChI=1S/C16H28N4O2/c1-10(2)22-15(21)18-12-7-6-11(8-12)13-9-14(17)20(19-13)16(3,4)5/h9-12H,6-8,17H2,1-5H3,(H,18,21)
InChIKeyLFMMHJACFWQGKT-UHFFFAOYSA-N
XLogP2.99
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate?
The IUPAC name of propan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate (CID 164518714) is propan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate.
What is the SMILES notation for propan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate?
The canonical SMILES for propan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate is CC(C)OC(=O)NC1CCC(c2cc(N)n(C(C)(C)C)n2)C1.
What is the InChIKey of propan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate?
The InChIKey is LFMMHJACFWQGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-10(2)22-15(21)18-12-7-6-11(8-12)13-9-14(17)20(19-13)16(3,4)5/h9-12H,6-8,17H2,1-5H3,(H,18,21).
What are the key properties of propan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate?
propan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate has a molecular weight of 308.43 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate is sourced from PubChem (CID 164518714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).