N-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]-3-oxopropyl]-4-methylbenzamide

C19H26N4O2 — CID 122131084

IUPACN-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]-3-oxopropyl]-4-methylbenzamide
SMILESCCn1ncc(CN(C)C(=O)CCNC(=O)c2ccc(C)cc2)c1C
InChIInChI=1S/C19H26N4O2/c1-5-23-15(3)17(12-21-23)13-22(4)18(24)10-11-20-19(25)16-8-6-14(2)7-9-16/h6-9,12H,5,10-11,13H2,1-4H3,(H,20,25)
InChIKeyQIOSDNMWNVFSKE-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.30
Rot. Bonds7

About N-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]-3-oxopropyl]-4-methylbenzamide

N-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]-3-oxopropyl]-4-methylbenzamide (PubChem CID 122131084) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]-3-oxopropyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]-3-oxopropyl]-4-methylbenzamide
PubChem CID122131084
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]-3-oxopropyl]-4-methylbenzamide
SMILESCCn1ncc(CN(C)C(=O)CCNC(=O)c2ccc(C)cc2)c1C
InChIInChI=1S/C19H26N4O2/c1-5-23-15(3)17(12-21-23)13-22(4)18(24)10-11-20-19(25)16-8-6-14(2)7-9-16/h6-9,12H,5,10-11,13H2,1-4H3,(H,20,25)
InChIKeyQIOSDNMWNVFSKE-UHFFFAOYSA-N
XLogP2.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]-3-oxopropyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-3-oxopropyl]benzamide
CID 90647350
1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 19477894
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19575645
4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
CID 19290546
1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-phenylurea
CID 3698434
2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylacetamide
CID 19575088
4-chloro-N-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzamide
CID 9369047
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 19290408
4-chloro-N-[3-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 9494370
2-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19478701
4-bromo-N-[3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropyl]benzamide
CID 78770733
4-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 17020502

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]-3-oxopropyl]-4-methylbenzamide?
The IUPAC name of N-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]-3-oxopropyl]-4-methylbenzamide (CID 122131084) is N-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]-3-oxopropyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]-3-oxopropyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]-3-oxopropyl]-4-methylbenzamide is CCn1ncc(CN(C)C(=O)CCNC(=O)c2ccc(C)cc2)c1C.
What is the InChIKey of N-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]-3-oxopropyl]-4-methylbenzamide?
The InChIKey is QIOSDNMWNVFSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-5-23-15(3)17(12-21-23)13-22(4)18(24)10-11-20-19(25)16-8-6-14(2)7-9-16/h6-9,12H,5,10-11,13H2,1-4H3,(H,20,25).
What are the key properties of N-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]-3-oxopropyl]-4-methylbenzamide?
N-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]-3-oxopropyl]-4-methylbenzamide has a molecular weight of 342.44 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]-3-oxopropyl]-4-methylbenzamide is sourced from PubChem (CID 122131084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).