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

C16H23N3O3 — CID 72866920

IUPAC(5-cyclopropyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone
SMILESCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(C3CC3)[nH]n1)CC2
InChIInChI=1S/C16H23N3O3/c1-22-14-9-13(20)16(14)4-6-19(7-5-16)15(21)12-8-11(17-18-12)10-2-3-10/h8,10,13-14,20H,2-7,9H2,1H3,(H,17,18)/t13-,14+/m1/s1
InChIKeyRQIFVWVLRPSXES-KGLIPLIRSA-N
MW305.38 g/mol
LogP1.29
Rot. Bonds3

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

(5-cyclopropyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone (PubChem CID 72866920) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone
PubChem CID72866920
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(5-cyclopropyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone
SMILESCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(C3CC3)[nH]n1)CC2
InChIInChI=1S/C16H23N3O3/c1-22-14-9-13(20)16(14)4-6-19(7-5-16)15(21)12-8-11(17-18-12)10-2-3-10/h8,10,13-14,20H,2-7,9H2,1H3,(H,17,18)/t13-,14+/m1/s1
InChIKeyRQIFVWVLRPSXES-KGLIPLIRSA-N
XLogP1.29
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone?
The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone (CID 72866920) is (5-cyclopropyl-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-cyclopropyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone is CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(C3CC3)[nH]n1)CC2.
What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone?
The InChIKey is RQIFVWVLRPSXES-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-22-14-9-13(20)16(14)4-6-19(7-5-16)15(21)12-8-11(17-18-12)10-2-3-10/h8,10,13-14,20H,2-7,9H2,1H3,(H,17,18)/t13-,14+/m1/s1.
What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone?
(5-cyclopropyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone has a molecular weight of 305.38 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1H-pyrazol-3-yl)-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]methanone is sourced from PubChem (CID 72866920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).