3,5-dimethyl-N-(4-morpholin-4-ylbutan-2-yl)-1-propylpyrazole-4-carboxamide

C17H30N4O2 — CID 71851873

IUPAC3,5-dimethyl-N-(4-morpholin-4-ylbutan-2-yl)-1-propylpyrazole-4-carboxamide
SMILESCCCn1nc(C)c(C(=O)NC(C)CCN2CCOCC2)c1C
InChIInChI=1S/C17H30N4O2/c1-5-7-21-15(4)16(14(3)19-21)17(22)18-13(2)6-8-20-9-11-23-12-10-20/h13H,5-12H2,1-4H3,(H,18,22)
InChIKeyCZASCSWXHGWNAV-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.75
Rot. Bonds7

About 3,5-dimethyl-N-(4-morpholin-4-ylbutan-2-yl)-1-propylpyrazole-4-carboxamide

3,5-dimethyl-N-(4-morpholin-4-ylbutan-2-yl)-1-propylpyrazole-4-carboxamide (PubChem CID 71851873) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 3,5-dimethyl-N-(4-morpholin-4-ylbutan-2-yl)-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(4-morpholin-4-ylbutan-2-yl)-1-propylpyrazole-4-carboxamide
PubChem CID71851873
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name3,5-dimethyl-N-(4-morpholin-4-ylbutan-2-yl)-1-propylpyrazole-4-carboxamide
SMILESCCCn1nc(C)c(C(=O)NC(C)CCN2CCOCC2)c1C
InChIInChI=1S/C17H30N4O2/c1-5-7-21-15(4)16(14(3)19-21)17(22)18-13(2)6-8-20-9-11-23-12-10-20/h13H,5-12H2,1-4H3,(H,18,22)
InChIKeyCZASCSWXHGWNAV-UHFFFAOYSA-N
XLogP1.75
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-Trimethyl-N~4~-morpholino-1H-pyrazole-4-carboxamide
CID 4768762
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-(2-methoxyethyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 46991405
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47020141
ethyl 2-(1-cyclopentyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamido)acetate
CID 49675695
5-methyl-1-(1-methylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 49675734
1-tert-butyl-N-[(4-carbamoyloxan-4-yl)methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 53512503
N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(methoxyacetyl)-3-piperidinecarboxamide
CID 72880511
N-(oxan-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 110226048
(5-ethyl-3-isobutyl-1-methyl-1H-pyrazol-4-yl)(morpholino)methanone
CID 42669902
3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]propanamide
CID 70767331
3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-[trans-3-(2-hydroxyethoxy)tetrahydro-2H-pyran-4-yl]propanamide
CID 91764298
(4-Propylpiperazin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 40140215

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(4-morpholin-4-ylbutan-2-yl)-1-propylpyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(4-morpholin-4-ylbutan-2-yl)-1-propylpyrazole-4-carboxamide (CID 71851873) is 3,5-dimethyl-N-(4-morpholin-4-ylbutan-2-yl)-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(4-morpholin-4-ylbutan-2-yl)-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(4-morpholin-4-ylbutan-2-yl)-1-propylpyrazole-4-carboxamide is CCCn1nc(C)c(C(=O)NC(C)CCN2CCOCC2)c1C.
What is the InChIKey of 3,5-dimethyl-N-(4-morpholin-4-ylbutan-2-yl)-1-propylpyrazole-4-carboxamide?
The InChIKey is CZASCSWXHGWNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-5-7-21-15(4)16(14(3)19-21)17(22)18-13(2)6-8-20-9-11-23-12-10-20/h13H,5-12H2,1-4H3,(H,18,22).
What are the key properties of 3,5-dimethyl-N-(4-morpholin-4-ylbutan-2-yl)-1-propylpyrazole-4-carboxamide?
3,5-dimethyl-N-(4-morpholin-4-ylbutan-2-yl)-1-propylpyrazole-4-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(4-morpholin-4-ylbutan-2-yl)-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 71851873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).