2-cyclopropyl-8-(5-methyl-1-propylpyrazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C20H30N4O2 — CID 70744895

IUPAC2-cyclopropyl-8-(5-methyl-1-propylpyrazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCn1ncc(C(=O)N2CCCC3(CCC(=O)N(C4CC4)C3)C2)c1C
InChIInChI=1S/C20H30N4O2/c1-3-10-24-15(2)17(12-21-24)19(26)22-11-4-8-20(13-22)9-7-18(25)23(14-20)16-5-6-16/h12,16H,3-11,13-14H2,1-2H3
InChIKeyOYKPYNBXGUYJTH-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.61
Rot. Bonds4

About 2-cyclopropyl-8-(5-methyl-1-propylpyrazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-8-(5-methyl-1-propylpyrazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70744895) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-cyclopropyl-8-(5-methyl-1-propylpyrazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-8-(5-methyl-1-propylpyrazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70744895
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name2-cyclopropyl-8-(5-methyl-1-propylpyrazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCn1ncc(C(=O)N2CCCC3(CCC(=O)N(C4CC4)C3)C2)c1C
InChIInChI=1S/C20H30N4O2/c1-3-10-24-15(2)17(12-21-24)19(26)22-11-4-8-20(13-22)9-7-18(25)23(14-20)16-5-6-16/h12,16H,3-11,13-14H2,1-2H3
InChIKeyOYKPYNBXGUYJTH-UHFFFAOYSA-N
XLogP2.61
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70724597
(6S)-2-cyclopropyl-8-(3-ethylsulfanylpropanoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97114533
2-cyclopropyl-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70752399
2-butyl-8-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72902306
2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72909555
(6S)-2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97142136
2-cyclopropyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70754239
2-cyclopropyl-8-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72879577
(6R)-2-ethyl-8-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96575497
[4-(5-methyl-1-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
CID 137339717
2-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidin-3-yl]benzoic acid
CID 95709553
2-cyclopropyl-8-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72866096

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-8-(5-methyl-1-propylpyrazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-8-(5-methyl-1-propylpyrazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70744895) is 2-cyclopropyl-8-(5-methyl-1-propylpyrazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-8-(5-methyl-1-propylpyrazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-8-(5-methyl-1-propylpyrazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is CCCn1ncc(C(=O)N2CCCC3(CCC(=O)N(C4CC4)C3)C2)c1C.
What is the InChIKey of 2-cyclopropyl-8-(5-methyl-1-propylpyrazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is OYKPYNBXGUYJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-3-10-24-15(2)17(12-21-24)19(26)22-11-4-8-20(13-22)9-7-18(25)23(14-20)16-5-6-16/h12,16H,3-11,13-14H2,1-2H3.
What are the key properties of 2-cyclopropyl-8-(5-methyl-1-propylpyrazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-8-(5-methyl-1-propylpyrazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 358.49 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-8-(5-methyl-1-propylpyrazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70744895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).