[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone

C19H29N3O3 — CID 91917991

IUPAC[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)CC(OCC2CC2)CCO3)n(C)n1
InChIInChI=1S/C19H29N3O3/c1-14-11-17(21(2)20-14)18(23)22-8-6-19(7-9-22)12-16(5-10-25-19)24-13-15-3-4-15/h11,15-16H,3-10,12-13H2,1-2H3
InChIKeyZRWXDVNQRYUNHR-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.31
Rot. Bonds4

About [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone

[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone (PubChem CID 91917991) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone
PubChem CID91917991
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)CC(OCC2CC2)CCO3)n(C)n1
InChIInChI=1S/C19H29N3O3/c1-14-11-17(21(2)20-14)18(23)22-8-6-19(7-9-22)12-16(5-10-25-19)24-13-15-3-4-15/h11,15-16H,3-10,12-13H2,1-2H3
InChIKeyZRWXDVNQRYUNHR-UHFFFAOYSA-N
XLogP2.31
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone (CID 91917991) is [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCC3(CC2)CC(OCC2CC2)CCO3)n(C)n1.
What is the InChIKey of [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is ZRWXDVNQRYUNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14-11-17(21(2)20-14)18(23)22-8-6-19(7-9-22)12-16(5-10-25-19)24-13-15-3-4-15/h11,15-16H,3-10,12-13H2,1-2H3.
What are the key properties of [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 347.46 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 91917991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).