3-(ethylamino)-N-[(2-ethyl-3-methoxy-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylbenzamide

C17H24N4O3 — CID 130459659

IUPAC3-(ethylamino)-N-[(2-ethyl-3-methoxy-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylbenzamide
SMILESCCNc1cccc(C(=O)NCc2c(OC)n(CC)[nH]c2=O)c1C
InChIInChI=1S/C17H24N4O3/c1-5-18-14-9-7-8-12(11(14)3)15(22)19-10-13-16(23)20-21(6-2)17(13)24-4/h7-9,18H,5-6,10H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyXDZDIWTVSUGRLP-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.88
Rot. Bonds7

About 3-(ethylamino)-N-[(2-ethyl-3-methoxy-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylbenzamide

3-(ethylamino)-N-[(2-ethyl-3-methoxy-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylbenzamide (PubChem CID 130459659) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-(ethylamino)-N-[(2-ethyl-3-methoxy-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[(2-ethyl-3-methoxy-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylbenzamide
PubChem CID130459659
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name3-(ethylamino)-N-[(2-ethyl-3-methoxy-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylbenzamide
SMILESCCNc1cccc(C(=O)NCc2c(OC)n(CC)[nH]c2=O)c1C
InChIInChI=1S/C17H24N4O3/c1-5-18-14-9-7-8-12(11(14)3)15(22)19-10-13-16(23)20-21(6-2)17(13)24-4/h7-9,18H,5-6,10H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyXDZDIWTVSUGRLP-UHFFFAOYSA-N
XLogP1.88
TPSA88.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide
CID 130459662
3-(ethylamino)-2-methyl-N-[(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]benzamide
CID 130459810
3-(ethylamino)-2-methyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]benzamide
CID 130459526
N,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[[3-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-1H-pyrazol-4-yl]methyl]benzamide
CID 144778418
N,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide
CID 144778475
3-[(2-chloro-6-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 71913623
ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate
CID 55177471
3-[(6-methoxy-3-pyridinyl)methylamino]-N,2-dimethylbenzamide
CID 114936559
methyl 3-[(1-ethylpyrrol-2-yl)methylamino]-2-methylbenzoate
CID 66411733
2-(ethylamino)-N-(4-methoxybutyl)benzamide
CID 55047330
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide
CID 106049267
3-[(3-chloro-2-hydroxypropyl)amino]-N-(2-methoxyethyl)-2-methylbenzamide
CID 168637570

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[(2-ethyl-3-methoxy-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylbenzamide?
The IUPAC name of 3-(ethylamino)-N-[(2-ethyl-3-methoxy-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylbenzamide (CID 130459659) is 3-(ethylamino)-N-[(2-ethyl-3-methoxy-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for 3-(ethylamino)-N-[(2-ethyl-3-methoxy-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylbenzamide?
The canonical SMILES for 3-(ethylamino)-N-[(2-ethyl-3-methoxy-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylbenzamide is CCNc1cccc(C(=O)NCc2c(OC)n(CC)[nH]c2=O)c1C.
What is the InChIKey of 3-(ethylamino)-N-[(2-ethyl-3-methoxy-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylbenzamide?
The InChIKey is XDZDIWTVSUGRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-5-18-14-9-7-8-12(11(14)3)15(22)19-10-13-16(23)20-21(6-2)17(13)24-4/h7-9,18H,5-6,10H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of 3-(ethylamino)-N-[(2-ethyl-3-methoxy-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylbenzamide?
3-(ethylamino)-N-[(2-ethyl-3-methoxy-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylbenzamide has a molecular weight of 332.40 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[(2-ethyl-3-methoxy-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 130459659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).