N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C19H24N4O2 — CID 126792098

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)N1CCC2(CCOC2)C1
InChIInChI=1S/C19H24N4O2/c1-14-17(15(2)23(21-14)16-6-4-3-5-7-16)20-18(24)22-10-8-19(12-22)9-11-25-13-19/h3-7H,8-13H2,1-2H3,(H,20,24)
InChIKeyHTTUZAJBBZXRHS-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.13
Rot. Bonds2

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 126792098) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID126792098
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)N1CCC2(CCOC2)C1
InChIInChI=1S/C19H24N4O2/c1-14-17(15(2)23(21-14)16-6-4-3-5-7-16)20-18(24)22-10-8-19(12-22)9-11-25-13-19/h3-7H,8-13H2,1-2H3,(H,20,24)
InChIKeyHTTUZAJBBZXRHS-UHFFFAOYSA-N
XLogP3.13
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-N-(2-chloro-6-methylphenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99633932
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 45237197
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-phenylmorpholine-4-carboxamide
CID 71870397
N-(1-phenylpiperidin-3-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 71921021
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide
CID 51279535
tert-butyl 2-[[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]amino]benzoate
CID 124615985
(5R)-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99606652
(5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99786692
(5R)-N-dibenzofuran-3-yl-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97017490
(5R)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 124595151
(5R)-N-(2-bromo-5-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 124577031
N-(3-fluoro-5-methylphenyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
CID 99821838

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 126792098) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CCC2(CCOC2)C1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is HTTUZAJBBZXRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-17(15(2)23(21-14)16-6-4-3-5-7-16)20-18(24)22-10-8-19(12-22)9-11-25-13-19/h3-7H,8-13H2,1-2H3,(H,20,24).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 126792098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).