1,3-dimethyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)pyrazole-4-carboxamide;hydrochloride

C15H25ClN4O2 — CID 154922378

IUPAC1,3-dimethyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(C)cc1C(=O)NC1CCCOC12CCNCC2.Cl
InChIInChI=1S/C15H24N4O2.ClH/c1-11-12(10-19(2)18-11)14(20)17-13-4-3-9-21-15(13)5-7-16-8-6-15;/h10,13,16H,3-9H2,1-2H3,(H,17,20);1H
InChIKeyUKLHJJJODTZJHJ-UHFFFAOYSA-N
MW328.84 g/mol
LogP1.18
Rot. Bonds2

About 1,3-dimethyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)pyrazole-4-carboxamide;hydrochloride

1,3-dimethyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 154922378) has the molecular formula C15H25ClN4O2 and a molecular weight of 328.84 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1,3-dimethyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)pyrazole-4-carboxamide;hydrochloride
PubChem CID154922378
Molecular FormulaC15H25ClN4O2
Molecular Weight328.84 g/mol
Exact Mass328.17
IUPAC Name1,3-dimethyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(C)cc1C(=O)NC1CCCOC12CCNCC2.Cl
InChIInChI=1S/C15H24N4O2.ClH/c1-11-12(10-19(2)18-11)14(20)17-13-4-3-9-21-15(13)5-7-16-8-6-15;/h10,13,16H,3-9H2,1-2H3,(H,17,20);1H
InChIKeyUKLHJJJODTZJHJ-UHFFFAOYSA-N
XLogP1.18
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide;hydrochloride
CID 154923201
2-fluoro-4-hydroxy-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide
CID 137340132
N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
CID 104927400
2-fluoro-5-hydroxy-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide
CID 137336157
1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
CID 103805401
2-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103790683
1-(1,3-benzodioxol-5-yl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride
CID 172910020
N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119600954
3-hydroxy-4-methoxy-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)benzamide
CID 137335440
N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110125125
1,3-dimethyl-N-(oxetan-3-yl)pyrazole-4-carboxamide
CID 102801920
1-(2-methoxyphenyl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride
CID 172911869

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1,3-dimethyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)pyrazole-4-carboxamide;hydrochloride (CID 154922378) is 1,3-dimethyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1,3-dimethyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1,3-dimethyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)pyrazole-4-carboxamide;hydrochloride is Cc1nn(C)cc1C(=O)NC1CCCOC12CCNCC2.Cl.
What is the InChIKey of 1,3-dimethyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is UKLHJJJODTZJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2.ClH/c1-11-12(10-19(2)18-11)14(20)17-13-4-3-9-21-15(13)5-7-16-8-6-15;/h10,13,16H,3-9H2,1-2H3,(H,17,20);1H.
What are the key properties of 1,3-dimethyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)pyrazole-4-carboxamide;hydrochloride?
1,3-dimethyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 154922378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).