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

C19H28N4O2 — CID 72883794

IUPAC7-(cyclopropylmethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCc1[nH]ncc1C(=O)N1CCC2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C19H28N4O2/c1-2-4-16-15(11-20-21-16)17(24)23-10-8-19(13-23)7-3-9-22(18(19)25)12-14-5-6-14/h11,14H,2-10,12-13H2,1H3,(H,20,21)
InChIKeyZDPMRAHUYOOTAC-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.23
Rot. Bonds5

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

7-(cyclopropylmethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72883794) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72883794
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name7-(cyclopropylmethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCc1[nH]ncc1C(=O)N1CCC2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C19H28N4O2/c1-2-4-16-15(11-20-21-16)17(24)23-10-8-19(13-23)7-3-9-22(18(19)25)12-14-5-6-14/h11,14H,2-10,12-13H2,1H3,(H,20,21)
InChIKeyZDPMRAHUYOOTAC-UHFFFAOYSA-N
XLogP2.23
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
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-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72924434
(5R)-7-(cyclobutylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97136329
(5R)-7-(cyclopropylmethyl)-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97129129
7-(cyclopropylmethyl)-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72882284
(5R)-7-(cyclopropylmethyl)-2-(2-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25311849
(5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97125382
7-(cyclopropylmethyl)-2-(2-methoxypyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45237711
(5S)-2-(5-chloro-2-methoxybenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97140685
(5R)-2-(3-acetylbenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97148069
(5R)-7-(cyclohexylmethyl)-2-[2-(methylamino)pyrimidine-5-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126424492
7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72902847

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclopropylmethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72883794) is 7-(cyclopropylmethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclopropylmethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclopropylmethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CCCc1[nH]ncc1C(=O)N1CCC2(CCCN(CC3CC3)C2=O)C1.
What is the InChIKey of 7-(cyclopropylmethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ZDPMRAHUYOOTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-2-4-16-15(11-20-21-16)17(24)23-10-8-19(13-23)7-3-9-22(18(19)25)12-14-5-6-14/h11,14H,2-10,12-13H2,1H3,(H,20,21).
What are the key properties of 7-(cyclopropylmethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclopropylmethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 344.46 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72883794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).