7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C18H28N4O2 — CID 72924434

IUPAC7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCc1[nH]ncc1C(=O)N1CCC2(CCCN(C(C)C)C2=O)C1
InChIInChI=1S/C18H28N4O2/c1-4-6-15-14(11-19-20-15)16(23)21-10-8-18(12-21)7-5-9-22(13(2)3)17(18)24/h11,13H,4-10,12H2,1-3H3,(H,19,20)
InChIKeyQZKKLLZCYPQQRR-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.23
Rot. Bonds4

About 7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72924434) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72924434
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCc1[nH]ncc1C(=O)N1CCC2(CCCN(C(C)C)C2=O)C1
InChIInChI=1S/C18H28N4O2/c1-4-6-15-14(11-19-20-15)16(23)21-10-8-18(12-21)7-5-9-22(13(2)3)17(18)24/h11,13H,4-10,12H2,1-3H3,(H,19,20)
InChIKeyQZKKLLZCYPQQRR-UHFFFAOYSA-N
XLogP2.23
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72924434) is 7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CCCc1[nH]ncc1C(=O)N1CCC2(CCCN(C(C)C)C2=O)C1.
What is the InChIKey of 7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is QZKKLLZCYPQQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-4-6-15-14(11-19-20-15)16(23)21-10-8-18(12-21)7-5-9-22(13(2)3)17(18)24/h11,13H,4-10,12H2,1-3H3,(H,19,20).
What are the key properties of 7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 332.45 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72924434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).