(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone

C16H25N3O3 — CID 70715905

IUPAC(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone
SMILESCCc1[nH]nc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OC)c1C
InChIInChI=1S/C16H25N3O3/c1-4-11-10(2)14(18-17-11)15(21)19-7-5-16(6-8-19)12(20)9-13(16)22-3/h12-13,20H,4-9H2,1-3H3,(H,17,18)/t12-,13+/m1/s1
InChIKeyLGXGCHVGXRAHCV-OLZOCXBDSA-N
MW307.39 g/mol
LogP1.28
Rot. Bonds3

About (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone

(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone (PubChem CID 70715905) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone
PubChem CID70715905
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone
SMILESCCc1[nH]nc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OC)c1C
InChIInChI=1S/C16H25N3O3/c1-4-11-10(2)14(18-17-11)15(21)19-7-5-16(6-8-19)12(20)9-13(16)22-3/h12-13,20H,4-9H2,1-3H3,(H,17,18)/t12-,13+/m1/s1
InChIKeyLGXGCHVGXRAHCV-OLZOCXBDSA-N
XLogP1.28
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(1R*,3S*)-3-ethoxy-7-{[3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}-7-azaspiro[3.5]nonan-1-ol
CID 70785911
2-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)carbonyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72912648
(1R*,3S*)-7-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-3-methoxy-7-azaspiro[3.5]nonan-1-ol
CID 70758097
(1R*,3S*)-7-[(3-cyclopropyl-1H-pyrazol-5-yl)carbonyl]-3-methoxy-7-azaspiro[3.5]nonan-1-ol
CID 72866920
[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 97114507
5-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-N-propyl-1H-pyrazole-3-carboxamide
CID 164636740
(5-tert-butyl-1H-pyrazol-3-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 112329042
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 133123944
[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 56871595
4-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)carbonyl]-2-(4-methylpentyl)morpholine
CID 56879584
(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 124045361
N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 132312146

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone?
The IUPAC name of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone (CID 70715905) is (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone.
What is the SMILES notation for (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone?
The canonical SMILES for (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone is CCc1[nH]nc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OC)c1C.
What is the InChIKey of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone?
The InChIKey is LGXGCHVGXRAHCV-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-4-11-10(2)14(18-17-11)15(21)19-7-5-16(6-8-19)12(20)9-13(16)22-3/h12-13,20H,4-9H2,1-3H3,(H,17,18)/t12-,13+/m1/s1.
What are the key properties of (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone?
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone has a molecular weight of 307.39 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone is sourced from PubChem (CID 70715905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).