N-cyclopropyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide

C16H23N5O2 — CID 118739348

IUPACN-cyclopropyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCn1cc(C2CC(=O)NC23CCN(C(=O)NC2CC2)CC3)cn1
InChIInChI=1S/C16H23N5O2/c1-20-10-11(9-17-20)13-8-14(22)19-16(13)4-6-21(7-5-16)15(23)18-12-2-3-12/h9-10,12-13H,2-8H2,1H3,(H,18,23)(H,19,22)
InChIKeyQHYYAPHYCZJPFI-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.73
Rot. Bonds2

About N-cyclopropyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide

N-cyclopropyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 118739348) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-cyclopropyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID118739348
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-cyclopropyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCn1cc(C2CC(=O)NC23CCN(C(=O)NC2CC2)CC3)cn1
InChIInChI=1S/C16H23N5O2/c1-20-10-11(9-17-20)13-8-14(22)19-16(13)4-6-21(7-5-16)15(23)18-12-2-3-12/h9-10,12-13H,2-8H2,1H3,(H,18,23)(H,19,22)
InChIKeyQHYYAPHYCZJPFI-UHFFFAOYSA-N
XLogP0.73
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-cyclopropyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide (CID 118739348) is N-cyclopropyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide is Cn1cc(C2CC(=O)NC23CCN(C(=O)NC2CC2)CC3)cn1.
What is the InChIKey of N-cyclopropyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is QHYYAPHYCZJPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-20-10-11(9-17-20)13-8-14(22)19-16(13)4-6-21(7-5-16)15(23)18-12-2-3-12/h9-10,12-13H,2-8H2,1H3,(H,18,23)(H,19,22).
What are the key properties of N-cyclopropyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide?
N-cyclopropyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 118739348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).