3-(ethylamino)-2-methyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]benzamide

C20H29N5O3 — CID 130459526

IUPAC3-(ethylamino)-2-methyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]benzamide
SMILESCCNc1cccc(C(=O)NCc2c(CN3CCOCC3)n(C)[nH]c2=O)c1C
InChIInChI=1S/C20H29N5O3/c1-4-21-17-7-5-6-15(14(17)2)19(26)22-12-16-18(24(3)23-20(16)27)13-25-8-10-28-11-9-25/h5-7,21H,4,8-13H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyOWVINFLZYXFKKX-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.22
Rot. Bonds7

About 3-(ethylamino)-2-methyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]benzamide

3-(ethylamino)-2-methyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]benzamide (PubChem CID 130459526) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-(ethylamino)-2-methyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(ethylamino)-2-methyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]benzamide
PubChem CID130459526
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name3-(ethylamino)-2-methyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]benzamide
SMILESCCNc1cccc(C(=O)NCc2c(CN3CCOCC3)n(C)[nH]c2=O)c1C
InChIInChI=1S/C20H29N5O3/c1-4-21-17-7-5-6-15(14(17)2)19(26)22-12-16-18(24(3)23-20(16)27)13-25-8-10-28-11-9-25/h5-7,21H,4,8-13H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyOWVINFLZYXFKKX-UHFFFAOYSA-N
XLogP1.22
TPSA91.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
3-(ethylamino)-2-methyl-N-[(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)methyl]benzamide
CID 130459810
3-(ethylamino)-N-[(2-ethyl-3-methoxy-5-oxo-1H-pyrazol-4-yl)methyl]-2-methylbenzamide
CID 130459659
3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide
CID 130459662
N,N-dimethylcyclohexanamine;3-(ethylamino)-2-methyl-N-[(2-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]benzamide
CID 144778475
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)anilino]benzamide
CID 153279469
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(2-methylpropanoyl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 135249177
2-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17437691
2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 27241616
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-2-hydroxy-4,4,8-trimethyl-5-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroquinoline-7-carboxamide
CID 146587992
N-[(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)methyl]-3-(ethylamino)-2,5-dimethylbenzamide;N-methyl-N-(pyridin-3-ylmethyl)cyclohexanamine
CID 144778414
5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 120640346

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-methyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]benzamide?
The IUPAC name of 3-(ethylamino)-2-methyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]benzamide (CID 130459526) is 3-(ethylamino)-2-methyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]benzamide.
What is the SMILES notation for 3-(ethylamino)-2-methyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]benzamide?
The canonical SMILES for 3-(ethylamino)-2-methyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]benzamide is CCNc1cccc(C(=O)NCc2c(CN3CCOCC3)n(C)[nH]c2=O)c1C.
What is the InChIKey of 3-(ethylamino)-2-methyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]benzamide?
The InChIKey is OWVINFLZYXFKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-4-21-17-7-5-6-15(14(17)2)19(26)22-12-16-18(24(3)23-20(16)27)13-25-8-10-28-11-9-25/h5-7,21H,4,8-13H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of 3-(ethylamino)-2-methyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]benzamide?
3-(ethylamino)-2-methyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]benzamide has a molecular weight of 387.48 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-methyl-N-[[2-methyl-3-(morpholin-4-ylmethyl)-5-oxo-1H-pyrazol-4-yl]methyl]benzamide is sourced from PubChem (CID 130459526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).