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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Related Compounds

(5S)-7-(2-hydroxyethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97126925
7-(cyclopropylmethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72883794
2-(2-methyl-1H-pyrrole-3-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 72847802
2-ethoxy-N-[3-methyl-1-(5-propyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]propanamide
CID 166350503
1-oxa-8-azaspiro[4.5]decan-8-yl-(5-propyl-1H-pyrazol-4-yl)methanone
CID 56868207
2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 72898379
(5R)-2-(2H-benzotriazole-5-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97149053
8-(5-propyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
CID 132775762
(3R)-3-phenyl-8-(5-propyl-1H-pyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97204422
7-propan-2-yl-2-[6-(1,2,4-triazol-4-yl)pyridine-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72840672
(5R)-2-(1-methylindole-4-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97118729
(5R)-2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97146542

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).