3-(3-tert-butylpyrazol-1-yl)-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide

C20H27N5O3 — CID 141095327

IUPAC3-(3-tert-butylpyrazol-1-yl)-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CN(CC(=O)NC)C(=O)c1cccc(-n2ccc(C(C)(C)C)n2)c1
InChIInChI=1S/C20H27N5O3/c1-20(2,3)16-9-10-25(23-16)15-8-6-7-14(11-15)19(28)24(12-17(26)21-4)13-18(27)22-5/h6-11H,12-13H2,1-5H3,(H,21,26)(H,22,27)
InChIKeyCMBOWRVSSJFTAY-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.10
Rot. Bonds6

About 3-(3-tert-butylpyrazol-1-yl)-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide

3-(3-tert-butylpyrazol-1-yl)-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 141095327) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-(3-tert-butylpyrazol-1-yl)-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(3-tert-butylpyrazol-1-yl)-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID141095327
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name3-(3-tert-butylpyrazol-1-yl)-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CN(CC(=O)NC)C(=O)c1cccc(-n2ccc(C(C)(C)C)n2)c1
InChIInChI=1S/C20H27N5O3/c1-20(2,3)16-9-10-25(23-16)15-8-6-7-14(11-15)19(28)24(12-17(26)21-4)13-18(27)22-5/h6-11H,12-13H2,1-5H3,(H,21,26)(H,22,27)
InChIKeyCMBOWRVSSJFTAY-UHFFFAOYSA-N
XLogP1.10
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119656567
N-methyl-N-methylsulfonyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 71969427
N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119584808
N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethylbenzamide
CID 42735713
N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119584807
2-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methoxy]ethanol
CID 141366787
2-[3-(3-tert-butylpyrazol-1-yl)phenyl]sulfanylethanol
CID 141366811
4-methyl-4-[[3-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentanoic acid
CID 119357520
N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-3-nitrobenzamide
CID 42733157
N-(3-amino-2-methylpropyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119996808
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119608640
2-[3-(3-tert-butylpyrazol-1-yl)-N-(dimethylsulfamoyl)anilino]ethanol
CID 141134717

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylpyrazol-1-yl)-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3-(3-tert-butylpyrazol-1-yl)-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide (CID 141095327) is 3-(3-tert-butylpyrazol-1-yl)-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(3-tert-butylpyrazol-1-yl)-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-(3-tert-butylpyrazol-1-yl)-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide is CNC(=O)CN(CC(=O)NC)C(=O)c1cccc(-n2ccc(C(C)(C)C)n2)c1.
What is the InChIKey of 3-(3-tert-butylpyrazol-1-yl)-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is CMBOWRVSSJFTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-20(2,3)16-9-10-25(23-16)15-8-6-7-14(11-15)19(28)24(12-17(26)21-4)13-18(27)22-5/h6-11H,12-13H2,1-5H3,(H,21,26)(H,22,27).
What are the key properties of 3-(3-tert-butylpyrazol-1-yl)-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide?
3-(3-tert-butylpyrazol-1-yl)-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 385.47 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylpyrazol-1-yl)-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 141095327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).