2-methoxy-N-[3-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]propyl]benzamide

C17H22N4O3 — CID 47006971

IUPAC2-methoxy-N-[3-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C17H22N4O3/c1-11-16(12(2)21(3)20-11)19-15(22)9-10-18-17(23)13-7-5-6-8-14(13)24-4/h5-8H,9-10H2,1-4H3,(H,18,23)(H,19,22)
InChIKeyOHZREDBIPLXRRW-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.80
Rot. Bonds6

About 2-methoxy-N-[3-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]propyl]benzamide

2-methoxy-N-[3-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]propyl]benzamide (PubChem CID 47006971) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-methoxy-N-[3-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]propyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]propyl]benzamide
PubChem CID47006971
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-methoxy-N-[3-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C17H22N4O3/c1-11-16(12(2)21(3)20-11)19-15(22)9-10-18-17(23)13-7-5-6-8-14(13)24-4/h5-8H,9-10H2,1-4H3,(H,18,23)(H,19,22)
InChIKeyOHZREDBIPLXRRW-UHFFFAOYSA-N
XLogP1.80
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-Ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-7-pyrimidinone
CID 135401477
Pyrazole diamide, 31
CID 11210632
Pyrazole scaffold, 1b
CID 25218466
2-[3-(3,5-Dimethyl-pyrazol-1-yl)-2-hydroxy-propoxy]-N-phenyl-benzamide
CID 645802
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2-methoxybenzamide
CID 658803
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide
CID 658976
5-chloro-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide
CID 841893
1-(2-ethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
CID 898261
N-(2-methoxybenzyl)-1-(3-((2-(methylamino)ethylamino)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 25216415
1-(3-((2-aminoethylamino)methyl)phenyl)-N-(2-methoxybenzyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 46879898
N-(5-fluoro-2-methoxybenzyl)-1-(3-((2-(methylamino)ethylamino)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 46880096
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methoxybenzamide
CID 57945020

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]propyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]propyl]benzamide (CID 47006971) is 2-methoxy-N-[3-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]propyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]propyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]propyl]benzamide is COc1ccccc1C(=O)NCCC(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of 2-methoxy-N-[3-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]propyl]benzamide?
The InChIKey is OHZREDBIPLXRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-16(12(2)21(3)20-11)19-15(22)9-10-18-17(23)13-7-5-6-8-14(13)24-4/h5-8H,9-10H2,1-4H3,(H,18,23)(H,19,22).
What are the key properties of 2-methoxy-N-[3-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]propyl]benzamide?
2-methoxy-N-[3-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]propyl]benzamide has a molecular weight of 330.39 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)amino]propyl]benzamide is sourced from PubChem (CID 47006971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).