N,8-dimethyl-2-(1H-pyrazole-5-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

C13H19N5O3 — CID 131693922

IUPACN,8-dimethyl-2-(1H-pyrazole-5-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCNC(=O)C1COC2(CN(C(=O)c3ccn[nH]3)C2)CN1C
InChIInChI=1S/C13H19N5O3/c1-14-11(19)10-5-21-13(6-17(10)2)7-18(8-13)12(20)9-3-4-15-16-9/h3-4,10H,5-8H2,1-2H3,(H,14,19)(H,15,16)
InChIKeyBATBDTZNDGLDHQ-UHFFFAOYSA-N
MW293.33 g/mol
LogP-1.32
Rot. Bonds2

About N,8-dimethyl-2-(1H-pyrazole-5-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

N,8-dimethyl-2-(1H-pyrazole-5-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 131693922) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is N,8-dimethyl-2-(1H-pyrazole-5-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN,8-dimethyl-2-(1H-pyrazole-5-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID131693922
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC NameN,8-dimethyl-2-(1H-pyrazole-5-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCNC(=O)C1COC2(CN(C(=O)c3ccn[nH]3)C2)CN1C
InChIInChI=1S/C13H19N5O3/c1-14-11(19)10-5-21-13(6-17(10)2)7-18(8-13)12(20)9-3-4-15-16-9/h3-4,10H,5-8H2,1-2H3,(H,14,19)(H,15,16)
InChIKeyBATBDTZNDGLDHQ-UHFFFAOYSA-N
XLogP-1.32
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,8-dimethyl-2-(2-methylfuran-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131651832
(7R)-2-(5-chloro-1-benzofuran-2-carbonyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124814985
2-(5-chloro-1-benzofuran-2-carbonyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131658487
N,8-dimethyl-2-(2-methylfuran-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155851811
2-(2-methoxyacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693051
(7S)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124813778
(7R)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124813777
2-N,2-N,7-N,8-tetramethyl-5-oxa-2,8-diazaspiro[3.5]nonane-2,7-dicarboxamide;2,2,2-trifluoroacetic acid
CID 155849523
1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl(1H-pyrazol-5-yl)methanone
CID 131643393
2-(3-hydroxybenzoyl)-8-methyl-N-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693362
(7S)-8-(cyclopropylmethyl)-N-methyl-2-(pyridazine-4-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124799177
(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 60779006

Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-2-(1H-pyrazole-5-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N,8-dimethyl-2-(1H-pyrazole-5-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (CID 131693922) is N,8-dimethyl-2-(1H-pyrazole-5-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N,8-dimethyl-2-(1H-pyrazole-5-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N,8-dimethyl-2-(1H-pyrazole-5-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is CNC(=O)C1COC2(CN(C(=O)c3ccn[nH]3)C2)CN1C.
What is the InChIKey of N,8-dimethyl-2-(1H-pyrazole-5-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is BATBDTZNDGLDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-14-11(19)10-5-21-13(6-17(10)2)7-18(8-13)12(20)9-3-4-15-16-9/h3-4,10H,5-8H2,1-2H3,(H,14,19)(H,15,16).
What are the key properties of N,8-dimethyl-2-(1H-pyrazole-5-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
N,8-dimethyl-2-(1H-pyrazole-5-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 293.33 g/mol, XLogP of -1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-2-(1H-pyrazole-5-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 131693922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).