[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(2-propylpyrazol-3-yl)methanone

C16H26N4O — CID 95223958

IUPAC[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)N1CCC[C@@]2(CCN(C)C2)C1
InChIInChI=1S/C16H26N4O/c1-3-9-20-14(5-8-17-20)15(21)19-10-4-6-16(13-19)7-11-18(2)12-16/h5,8H,3-4,6-7,9-13H2,1-2H3/t16-/m0/s1
InChIKeyXIEAWZIPGPSIFP-INIZCTEOSA-N
MW290.41 g/mol
LogP1.85
Rot. Bonds3

About [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(2-propylpyrazol-3-yl)methanone

[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(2-propylpyrazol-3-yl)methanone (PubChem CID 95223958) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(2-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(2-propylpyrazol-3-yl)methanone
PubChem CID95223958
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)N1CCC[C@@]2(CCN(C)C2)C1
InChIInChI=1S/C16H26N4O/c1-3-9-20-14(5-8-17-20)15(21)19-10-4-6-16(13-19)7-11-18(2)12-16/h5,8H,3-4,6-7,9-13H2,1-2H3/t16-/m0/s1
InChIKeyXIEAWZIPGPSIFP-INIZCTEOSA-N
XLogP1.85
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(2-propylpyrazol-3-yl)methanone with MolForge

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Related Compounds

[4-(1-Adamantyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6465121
US11142526, Example 79
CID 137533029
US11142526, Example 81
CID 137533224
N-[(1-cyclopentyl-3-piperidinyl)methyl]-1-methyl-N-[2-(1-piperidinyl)ethyl]-1H-pyrazole-5-carboxamide
CID 24819489
3-methyl-4-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 110217936
N-(2,2-Dimethyl-1-(1H-pyrazol-1-ylmethyl)propyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4771532
N-[(1-Ethyl-5-methyl-1H-pyrazol-4-YL)methyl]-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 19575757
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 19575903
N-[(1,5-Dimethyl-1H-pyrazol-4-YL)methyl]-N,1,3-trimethyl-1H-pyrazole-5-carboxamide
CID 19575943
(4-Methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 39891793
8-methyl-N-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56908764
2-[2-(dimethylamino)ethyl]-9-[(1-methyl-1H-pyrazol-3-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72850435

Frequently Asked Questions

What is the IUPAC name of [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(2-propylpyrazol-3-yl)methanone?
The IUPAC name of [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(2-propylpyrazol-3-yl)methanone (CID 95223958) is [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(2-propylpyrazol-3-yl)methanone.
What is the SMILES notation for [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(2-propylpyrazol-3-yl)methanone?
The canonical SMILES for [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(2-propylpyrazol-3-yl)methanone is CCCn1nccc1C(=O)N1CCC[C@@]2(CCN(C)C2)C1.
What is the InChIKey of [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(2-propylpyrazol-3-yl)methanone?
The InChIKey is XIEAWZIPGPSIFP-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-9-20-14(5-8-17-20)15(21)19-10-4-6-16(13-19)7-11-18(2)12-16/h5,8H,3-4,6-7,9-13H2,1-2H3/t16-/m0/s1.
What are the key properties of [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(2-propylpyrazol-3-yl)methanone?
[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(2-propylpyrazol-3-yl)methanone has a molecular weight of 290.41 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(2-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 95223958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).