N-cyclopropyl-N-[9-(5-phenyl-1H-pyrazole-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

C24H30N4O3 — CID 91919836

IUPACN-cyclopropyl-N-[9-(5-phenyl-1H-pyrazole-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESCC(=O)N(C1CC1)C1CCOC2(CCN(C(=O)c3cn[nH]c3-c3ccccc3)CC2)C1
InChIInChI=1S/C24H30N4O3/c1-17(29)28(19-7-8-19)20-9-14-31-24(15-20)10-12-27(13-11-24)23(30)21-16-25-26-22(21)18-5-3-2-4-6-18/h2-6,16,19-20H,7-15H2,1H3,(H,25,26)
InChIKeyGSEYWIAOUIUTAK-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.24
Rot. Bonds4

About N-cyclopropyl-N-[9-(5-phenyl-1H-pyrazole-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

N-cyclopropyl-N-[9-(5-phenyl-1H-pyrazole-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (PubChem CID 91919836) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-cyclopropyl-N-[9-(5-phenyl-1H-pyrazole-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[9-(5-phenyl-1H-pyrazole-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
PubChem CID91919836
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-cyclopropyl-N-[9-(5-phenyl-1H-pyrazole-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESCC(=O)N(C1CC1)C1CCOC2(CCN(C(=O)c3cn[nH]c3-c3ccccc3)CC2)C1
InChIInChI=1S/C24H30N4O3/c1-17(29)28(19-7-8-19)20-9-14-31-24(15-20)10-12-27(13-11-24)23(30)21-16-25-26-22(21)18-5-3-2-4-6-18/h2-6,16,19-20H,7-15H2,1H3,(H,25,26)
InChIKeyGSEYWIAOUIUTAK-UHFFFAOYSA-N
XLogP3.24
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[9-(5-phenyl-1H-pyrazole-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[9-(5-phenyl-1H-pyrazole-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (CID 91919836) is N-cyclopropyl-N-[9-(5-phenyl-1H-pyrazole-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[9-(5-phenyl-1H-pyrazole-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[9-(5-phenyl-1H-pyrazole-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is CC(=O)N(C1CC1)C1CCOC2(CCN(C(=O)c3cn[nH]c3-c3ccccc3)CC2)C1.
What is the InChIKey of N-cyclopropyl-N-[9-(5-phenyl-1H-pyrazole-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The InChIKey is GSEYWIAOUIUTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-17(29)28(19-7-8-19)20-9-14-31-24(15-20)10-12-27(13-11-24)23(30)21-16-25-26-22(21)18-5-3-2-4-6-18/h2-6,16,19-20H,7-15H2,1H3,(H,25,26).
What are the key properties of N-cyclopropyl-N-[9-(5-phenyl-1H-pyrazole-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
N-cyclopropyl-N-[9-(5-phenyl-1H-pyrazole-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide has a molecular weight of 422.53 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[9-(5-phenyl-1H-pyrazole-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is sourced from PubChem (CID 91919836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).