8-(3-amino-1H-pyrazole-5-carbonyl)-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one

C18H27N5O2 — CID 70735444

IUPAC8-(3-amino-1H-pyrazole-5-carbonyl)-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one
SMILESNc1cc(C(=O)N2CCCC3(CCC(=O)N(C4CCCC4)C3)C2)[nH]n1
InChIInChI=1S/C18H27N5O2/c19-15-10-14(20-21-15)17(25)22-9-3-7-18(11-22)8-6-16(24)23(12-18)13-4-1-2-5-13/h10,13H,1-9,11-12H2,(H3,19,20,21)
InChIKeyALHPCESPGUAQNG-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.78
Rot. Bonds2

About 8-(3-amino-1H-pyrazole-5-carbonyl)-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one

8-(3-amino-1H-pyrazole-5-carbonyl)-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70735444) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 8-(3-amino-1H-pyrazole-5-carbonyl)-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-(3-amino-1H-pyrazole-5-carbonyl)-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70735444
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name8-(3-amino-1H-pyrazole-5-carbonyl)-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one
SMILESNc1cc(C(=O)N2CCCC3(CCC(=O)N(C4CCCC4)C3)C2)[nH]n1
InChIInChI=1S/C18H27N5O2/c19-15-10-14(20-21-15)17(25)22-9-3-7-18(11-22)8-6-16(24)23(12-18)13-4-1-2-5-13/h10,13H,1-9,11-12H2,(H3,19,20,21)
InChIKeyALHPCESPGUAQNG-UHFFFAOYSA-N
XLogP1.78
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3-amino-1H-pyrazole-5-carbonyl)-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-(3-amino-1H-pyrazole-5-carbonyl)-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one (CID 70735444) is 8-(3-amino-1H-pyrazole-5-carbonyl)-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-(3-amino-1H-pyrazole-5-carbonyl)-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-(3-amino-1H-pyrazole-5-carbonyl)-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one is Nc1cc(C(=O)N2CCCC3(CCC(=O)N(C4CCCC4)C3)C2)[nH]n1.
What is the InChIKey of 8-(3-amino-1H-pyrazole-5-carbonyl)-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is ALHPCESPGUAQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c19-15-10-14(20-21-15)17(25)22-9-3-7-18(11-22)8-6-16(24)23(12-18)13-4-1-2-5-13/h10,13H,1-9,11-12H2,(H3,19,20,21).
What are the key properties of 8-(3-amino-1H-pyrazole-5-carbonyl)-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one?
8-(3-amino-1H-pyrazole-5-carbonyl)-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 345.45 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-amino-1H-pyrazole-5-carbonyl)-2-cyclopentyl-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70735444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).