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

C17H30N4O2 — CID 164518719

IUPACbutan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate
SMILESCCC(C)OC(=O)NC1CCC(c2cc(N)n(C(C)(C)C)n2)C1
InChIInChI=1S/C17H30N4O2/c1-6-11(2)23-16(22)19-13-8-7-12(9-13)14-10-15(18)21(20-14)17(3,4)5/h10-13H,6-9,18H2,1-5H3,(H,19,22)
InChIKeyIJDQMRGMCPDYCG-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.38
Rot. Bonds4

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

butan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate (PubChem CID 164518719) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is butan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate.

Molecular Properties

Compound Namebutan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate
PubChem CID164518719
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Namebutan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate
SMILESCCC(C)OC(=O)NC1CCC(c2cc(N)n(C(C)(C)C)n2)C1
InChIInChI=1S/C17H30N4O2/c1-6-11(2)23-16(22)19-13-8-7-12(9-13)14-10-15(18)21(20-14)17(3,4)5/h10-13H,6-9,18H2,1-5H3,(H,19,22)
InChIKeyIJDQMRGMCPDYCG-UHFFFAOYSA-N
XLogP3.38
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate?
The IUPAC name of butan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate (CID 164518719) is butan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate.
What is the SMILES notation for butan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate?
The canonical SMILES for butan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate is CCC(C)OC(=O)NC1CCC(c2cc(N)n(C(C)(C)C)n2)C1.
What is the InChIKey of butan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate?
The InChIKey is IJDQMRGMCPDYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-6-11(2)23-16(22)19-13-8-7-12(9-13)14-10-15(18)21(20-14)17(3,4)5/h10-13H,6-9,18H2,1-5H3,(H,19,22).
What are the key properties of butan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate?
butan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl N-[3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentyl]carbamate is sourced from PubChem (CID 164518719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).