1-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-3-carboxamide

C15H24N4O3 — CID 75445684

IUPAC1-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)N2CCOCC2)nn1C(C)(C)C
InChIInChI=1S/C15H24N4O3/c1-11-9-12(17-19(11)15(2,3)4)14(21)16-10-13(20)18-5-7-22-8-6-18/h9H,5-8,10H2,1-4H3,(H,16,21)
InChIKeyHEQNJJABDLEJOH-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.54
Rot. Bonds3

About 1-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-3-carboxamide

1-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-3-carboxamide (PubChem CID 75445684) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-3-carboxamide
PubChem CID75445684
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name1-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)N2CCOCC2)nn1C(C)(C)C
InChIInChI=1S/C15H24N4O3/c1-11-9-12(17-19(11)15(2,3)4)14(21)16-10-13(20)18-5-7-22-8-6-18/h9H,5-8,10H2,1-4H3,(H,16,21)
InChIKeyHEQNJJABDLEJOH-UHFFFAOYSA-N
XLogP0.54
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-N-(2-methoxyethyl)azepane-4-carboxamide
CID 49778457
ethyl 1-{[1-(tert-butyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}-4-piperidinecarboxylate
CID 2813428
1-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46944163
1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-ethyl-3-methylpiperidine-3-carboxamide
CID 49795728
1-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 53501404
3-[1-(2-Tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 3527678
N-Isobutyl-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 19279617
4-(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)-3,3-dimethylpiperazin-2-one
CID 25854652
1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 49790470
N-butyl-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-2-methylazetidine-2-carboxamide
CID 49792568
N-butyl-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-2-methylpiperidine-2-carboxamide
CID 49795438
N-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutanoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50983985

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-3-carboxamide (CID 75445684) is 1-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-3-carboxamide is Cc1cc(C(=O)NCC(=O)N2CCOCC2)nn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-3-carboxamide?
The InChIKey is HEQNJJABDLEJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-11-9-12(17-19(11)15(2,3)4)14(21)16-10-13(20)18-5-7-22-8-6-18/h9H,5-8,10H2,1-4H3,(H,16,21).
What are the key properties of 1-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-3-carboxamide?
1-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 75445684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).