N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide

C19H24N4O3 — CID 139006106

IUPACN-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)N2CCOC3(CCOC3)C2)cc1
InChIInChI=1S/C19H24N4O3/c1-14-3-5-16(6-4-14)23-17(11-15(2)21-23)20-18(24)22-8-10-26-19(12-22)7-9-25-13-19/h3-6,11H,7-10,12-13H2,1-2H3,(H,20,24)
InChIKeyRLCQJSDEQVXYCH-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.51
Rot. Bonds2

About N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide

N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 139006106) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID139006106
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)N2CCOC3(CCOC3)C2)cc1
InChIInChI=1S/C19H24N4O3/c1-14-3-5-16(6-4-14)23-17(11-15(2)21-23)20-18(24)22-8-10-26-19(12-22)7-9-25-13-19/h3-6,11H,7-10,12-13H2,1-2H3,(H,20,24)
InChIKeyRLCQJSDEQVXYCH-UHFFFAOYSA-N
XLogP2.51
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-N-[3-(trifluoromethyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 99822435
4,4-difluoro-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]piperidine-1-carboxamide
CID 72921605
N-(3,4-dichlorophenyl)-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
CID 71801658
[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 1-hydroxycyclopentane-1-carboxylate
CID 55999227
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 18292422
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyridine-4-carboxamide
CID 71943772
3-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]oxolane-3-carboxylic acid
CID 120532707
(5S)-3-methyl-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
CID 125155802
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 78817652
N-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]-1,8-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
CID 139000153
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 9484865
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 38846218

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide (CID 139006106) is N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide is Cc1ccc(-n2nc(C)cc2NC(=O)N2CCOC3(CCOC3)C2)cc1.
What is the InChIKey of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is RLCQJSDEQVXYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-14-3-5-16(6-4-14)23-17(11-15(2)21-23)20-18(24)22-8-10-26-19(12-22)7-9-25-13-19/h3-6,11H,7-10,12-13H2,1-2H3,(H,20,24).
What are the key properties of N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 139006106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).