tert-butyl N-[3-[1-tert-butyl-5-(pyridazin-4-ylamino)pyrazol-3-yl]cyclopentyl]carbamate

C21H32N6O2 — CID 175555095

IUPACtert-butyl N-[3-[1-tert-butyl-5-(pyridazin-4-ylamino)pyrazol-3-yl]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(c2cc(Nc3ccnnc3)n(C(C)(C)C)n2)C1
InChIInChI=1S/C21H32N6O2/c1-20(2,3)27-18(24-16-9-10-22-23-13-16)12-17(26-27)14-7-8-15(11-14)25-19(28)29-21(4,5)6/h9-10,12-15H,7-8,11H2,1-6H3,(H,22,24)(H,25,28)
InChIKeyDVGITUWXFMWONJ-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.33
Rot. Bonds4

About tert-butyl N-[3-[1-tert-butyl-5-(pyridazin-4-ylamino)pyrazol-3-yl]cyclopentyl]carbamate

tert-butyl N-[3-[1-tert-butyl-5-(pyridazin-4-ylamino)pyrazol-3-yl]cyclopentyl]carbamate (PubChem CID 175555095) has the molecular formula C21H32N6O2 and a molecular weight of 400.53 g/mol. Its IUPAC name is tert-butyl N-[3-[1-tert-butyl-5-(pyridazin-4-ylamino)pyrazol-3-yl]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[1-tert-butyl-5-(pyridazin-4-ylamino)pyrazol-3-yl]cyclopentyl]carbamate
PubChem CID175555095
Molecular FormulaC21H32N6O2
Molecular Weight400.53 g/mol
Exact Mass400.26
IUPAC Nametert-butyl N-[3-[1-tert-butyl-5-(pyridazin-4-ylamino)pyrazol-3-yl]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(c2cc(Nc3ccnnc3)n(C(C)(C)C)n2)C1
InChIInChI=1S/C21H32N6O2/c1-20(2,3)27-18(24-16-9-10-22-23-13-16)12-17(26-27)14-7-8-15(11-14)25-19(28)29-21(4,5)6/h9-10,12-15H,7-8,11H2,1-6H3,(H,22,24)(H,25,28)
InChIKeyDVGITUWXFMWONJ-UHFFFAOYSA-N
XLogP4.33
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[1-tert-butyl-5-(pyridazin-4-ylamino)pyrazol-3-yl]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-[1-tert-butyl-5-(pyridazin-4-ylamino)pyrazol-3-yl]cyclopentyl]carbamate (CID 175555095) is tert-butyl N-[3-[1-tert-butyl-5-(pyridazin-4-ylamino)pyrazol-3-yl]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[1-tert-butyl-5-(pyridazin-4-ylamino)pyrazol-3-yl]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[1-tert-butyl-5-(pyridazin-4-ylamino)pyrazol-3-yl]cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCC(c2cc(Nc3ccnnc3)n(C(C)(C)C)n2)C1.
What is the InChIKey of tert-butyl N-[3-[1-tert-butyl-5-(pyridazin-4-ylamino)pyrazol-3-yl]cyclopentyl]carbamate?
The InChIKey is DVGITUWXFMWONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O2/c1-20(2,3)27-18(24-16-9-10-22-23-13-16)12-17(26-27)14-7-8-15(11-14)25-19(28)29-21(4,5)6/h9-10,12-15H,7-8,11H2,1-6H3,(H,22,24)(H,25,28).
What are the key properties of tert-butyl N-[3-[1-tert-butyl-5-(pyridazin-4-ylamino)pyrazol-3-yl]cyclopentyl]carbamate?
tert-butyl N-[3-[1-tert-butyl-5-(pyridazin-4-ylamino)pyrazol-3-yl]cyclopentyl]carbamate has a molecular weight of 400.53 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[1-tert-butyl-5-(pyridazin-4-ylamino)pyrazol-3-yl]cyclopentyl]carbamate is sourced from PubChem (CID 175555095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).