ethyl 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrazole-3-carboxylate

C17H21N5O2 — CID 120972587

IUPACethyl 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(-c2cccc(CNC3=NCCN3C)c2)n1
InChIInChI=1S/C17H21N5O2/c1-3-24-16(23)15-7-9-22(20-15)14-6-4-5-13(11-14)12-19-17-18-8-10-21(17)2/h4-7,9,11H,3,8,10,12H2,1-2H3,(H,18,19)
InChIKeyILHXTZQLDFWIMR-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.44
Rot. Bonds5

About ethyl 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrazole-3-carboxylate

ethyl 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrazole-3-carboxylate (PubChem CID 120972587) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is ethyl 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrazole-3-carboxylate
PubChem CID120972587
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Nameethyl 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(-c2cccc(CNC3=NCCN3C)c2)n1
InChIInChI=1S/C17H21N5O2/c1-3-24-16(23)15-7-9-22(20-15)14-6-4-5-13(11-14)12-19-17-18-8-10-21(17)2/h4-7,9,11H,3,8,10,12H2,1-2H3,(H,18,19)
InChIKeyILHXTZQLDFWIMR-UHFFFAOYSA-N
XLogP1.44
TPSA71.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrazole-3-carboxylate 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

ethyl 1-[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]pyrazole-3-carboxylate;hydroiodide
CID 120655362
2-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenoxy]acetamide;hydroiodide
CID 120971038
1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 120970003
N-butan-2-yl-3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzamide;hydroiodide
CID 120969908
ethyl 1-phenylpyrazole-3-carboxylate;5-methylbenzene-1,3-dicarboxylic acid
CID 174407348
ethyl 1-[3-[(4-fluorophenyl)methylcarbamoylamino]phenyl]pyrazole-3-carboxylate
CID 55742788
ethyl 1-[3-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]pyrazole-3-carboxylate
CID 39015339
ethyl 1-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]pyrazole-3-carboxylate
CID 47042107
benzyl 1-(3-chlorophenyl)pyrazole-3-carboxylate
CID 60546555
N-(3-ethylphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]acetamide;hydroiodide
CID 120970750
ethyl 1-[3-[[2-[benzoyl(methyl)amino]acetyl]amino]phenyl]pyrazole-3-carboxylate
CID 55688446
1-[3-[[(2-pentoxyacetyl)amino]methyl]phenyl]pyrazole-3-carboxylic acid
CID 120630128

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrazole-3-carboxylate (CID 120972587) is ethyl 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrazole-3-carboxylate is CCOC(=O)c1ccn(-c2cccc(CNC3=NCCN3C)c2)n1.
What is the InChIKey of ethyl 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrazole-3-carboxylate?
The InChIKey is ILHXTZQLDFWIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-3-24-16(23)15-7-9-22(20-15)14-6-4-5-13(11-14)12-19-17-18-8-10-21(17)2/h4-7,9,11H,3,8,10,12H2,1-2H3,(H,18,19).
What are the key properties of ethyl 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrazole-3-carboxylate?
ethyl 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrazole-3-carboxylate has a molecular weight of 327.39 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]phenyl]pyrazole-3-carboxylate is sourced from PubChem (CID 120972587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).