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

C19H29N3O3 — CID 91907699

IUPAC[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)N1CCC2(CC1)CC(OCC1CC1)CCO2
InChIInChI=1S/C19H29N3O3/c1-2-22-17(5-9-20-22)18(23)21-10-7-19(8-11-21)13-16(6-12-25-19)24-14-15-3-4-15/h5,9,15-16H,2-4,6-8,10-14H2,1H3
InChIKeyWYIZSIPUNJQQHL-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.48
Rot. Bonds5

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

[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-ethylpyrazol-3-yl)methanone (PubChem CID 91907699) 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-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-ethylpyrazol-3-yl)methanone
PubChem CID91907699
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)N1CCC2(CC1)CC(OCC1CC1)CCO2
InChIInChI=1S/C19H29N3O3/c1-2-22-17(5-9-20-22)18(23)21-10-7-19(8-11-21)13-16(6-12-25-19)24-14-15-3-4-15/h5,9,15-16H,2-4,6-8,10-14H2,1H3
InChIKeyWYIZSIPUNJQQHL-UHFFFAOYSA-N
XLogP2.48
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.48
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-ethylpyrazol-3-yl)methanone?
The IUPAC name of [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-ethylpyrazol-3-yl)methanone (CID 91907699) is [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-ethylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-ethylpyrazol-3-yl)methanone is CCn1nccc1C(=O)N1CCC2(CC1)CC(OCC1CC1)CCO2.
What is the InChIKey of [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-ethylpyrazol-3-yl)methanone?
The InChIKey is WYIZSIPUNJQQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-2-22-17(5-9-20-22)18(23)21-10-7-19(8-11-21)13-16(6-12-25-19)24-14-15-3-4-15/h5,9,15-16H,2-4,6-8,10-14H2,1H3.
What are the key properties of [4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-ethylpyrazol-3-yl)methanone?
[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-ethylpyrazol-3-yl)methanone has a molecular weight of 347.46 g/mol, XLogP of 2.48, 5 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-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 91907699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).