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

C18H27N3O3 — CID 72934246

IUPAC(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl]methanone
SMILESCO[C@@]1(C)C[C@@H](O)C12CCN(C(=O)c1c(C3CC3)n[nH]c1C)CC2
InChIInChI=1S/C18H27N3O3/c1-11-14(15(20-19-11)12-4-5-12)16(23)21-8-6-18(7-9-21)13(22)10-17(18,2)24-3/h12-13,22H,4-10H2,1-3H3,(H,19,20)/t13-,17+/m1/s1
InChIKeyNGDDYEJCAQXONX-DYVFJYSZSA-N
MW333.43 g/mol
LogP1.99
Rot. Bonds3

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

(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl]methanone (PubChem CID 72934246) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl]methanone
PubChem CID72934246
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl]methanone
SMILESCO[C@@]1(C)C[C@@H](O)C12CCN(C(=O)c1c(C3CC3)n[nH]c1C)CC2
InChIInChI=1S/C18H27N3O3/c1-11-14(15(20-19-11)12-4-5-12)16(23)21-8-6-18(7-9-21)13(22)10-17(18,2)24-3/h12-13,22H,4-10H2,1-3H3,(H,19,20)/t13-,17+/m1/s1
InChIKeyNGDDYEJCAQXONX-DYVFJYSZSA-N
XLogP1.99
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl]methanone?
The IUPAC name of (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl]methanone (CID 72934246) is (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl]methanone?
The canonical SMILES for (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl]methanone is CO[C@@]1(C)C[C@@H](O)C12CCN(C(=O)c1c(C3CC3)n[nH]c1C)CC2.
What is the InChIKey of (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl]methanone?
The InChIKey is NGDDYEJCAQXONX-DYVFJYSZSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-11-14(15(20-19-11)12-4-5-12)16(23)21-8-6-18(7-9-21)13(22)10-17(18,2)24-3/h12-13,22H,4-10H2,1-3H3,(H,19,20)/t13-,17+/m1/s1.
What are the key properties of (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl]methanone?
(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl]methanone has a molecular weight of 333.43 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-[(1R,3S)-1-hydroxy-3-methoxy-3-methyl-7-azaspiro[3.5]nonan-7-yl]methanone is sourced from PubChem (CID 72934246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).