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

C17H26N4O3 — CID 97126925

IUPAC(5S)-7-(2-hydroxyethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCc1[nH]ncc1C(=O)N1CC[C@@]2(CCCN(CCO)C2=O)C1
InChIInChI=1S/C17H26N4O3/c1-2-4-14-13(11-18-19-14)15(23)21-8-6-17(12-21)5-3-7-20(9-10-22)16(17)24/h11,22H,2-10,12H2,1H3,(H,18,19)/t17-/m0/s1
InChIKeyOTWDITPAHFKQKP-KRWDZBQOSA-N
MW334.42 g/mol
LogP0.81
Rot. Bonds5

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

(5S)-7-(2-hydroxyethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97126925) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (5S)-7-(2-hydroxyethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(2-hydroxyethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97126925
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name(5S)-7-(2-hydroxyethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCc1[nH]ncc1C(=O)N1CC[C@@]2(CCCN(CCO)C2=O)C1
InChIInChI=1S/C17H26N4O3/c1-2-4-14-13(11-18-19-14)15(23)21-8-6-17(12-21)5-3-7-20(9-10-22)16(17)24/h11,22H,2-10,12H2,1H3,(H,18,19)/t17-/m0/s1
InChIKeyOTWDITPAHFKQKP-KRWDZBQOSA-N
XLogP0.81
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S)-7-(2-hydroxyethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

7-(cyclopropylmethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72883794
7-propan-2-yl-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72924434
(5S)-2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97148031
(5R)-7-(2-hydroxyethyl)-2-(1,2,5-trimethylpyrrole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97119188
(5S)-2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97113542
2-(4-chloro-1-methylpyrazole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72910141
7-(2-hydroxyethyl)-2-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72861988
1-oxa-8-azaspiro[4.5]decan-8-yl-(5-propyl-1H-pyrazol-4-yl)methanone
CID 56868207
7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45170196
(5R)-7-propyl-2-(1,2-thiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97155237
8-(5-propyl-1H-pyrazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-6-one
CID 132775762
2-propyl-7-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175645430

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(2-hydroxyethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(2-hydroxyethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97126925) is (5S)-7-(2-hydroxyethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(2-hydroxyethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(2-hydroxyethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CCCc1[nH]ncc1C(=O)N1CC[C@@]2(CCCN(CCO)C2=O)C1.
What is the InChIKey of (5S)-7-(2-hydroxyethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is OTWDITPAHFKQKP-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-2-4-14-13(11-18-19-14)15(23)21-8-6-17(12-21)5-3-7-20(9-10-22)16(17)24/h11,22H,2-10,12H2,1H3,(H,18,19)/t17-/m0/s1.
What are the key properties of (5S)-7-(2-hydroxyethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(2-hydroxyethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 334.42 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(2-hydroxyethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97126925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).