ethyl 1-methyl-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]pyrazole-4-carboxylate

C15H26N4O2 — CID 116632127

IUPACethyl 1-methyl-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1CN(C)CC1CCN(C)C1
InChIInChI=1S/C15H26N4O2/c1-5-21-15(20)13-8-16-19(4)14(13)11-18(3)10-12-6-7-17(2)9-12/h8,12H,5-7,9-11H2,1-4H3
InChIKeyNGYKXLFFXVIVCG-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.98
Rot. Bonds6

About ethyl 1-methyl-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]pyrazole-4-carboxylate

ethyl 1-methyl-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]pyrazole-4-carboxylate (PubChem CID 116632127) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is ethyl 1-methyl-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]pyrazole-4-carboxylate
PubChem CID116632127
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nameethyl 1-methyl-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1CN(C)CC1CCN(C)C1
InChIInChI=1S/C15H26N4O2/c1-5-21-15(20)13-8-16-19(4)14(13)11-18(3)10-12-6-7-17(2)9-12/h8,12H,5-7,9-11H2,1-4H3
InChIKeyNGYKXLFFXVIVCG-UHFFFAOYSA-N
XLogP0.98
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[[cyclopentylmethyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116632142
ethyl 5-[[cyclopropyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116631754
5-[[cyclobutylmethyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116632078
ethyl 5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1-methylpyrazole-4-carboxylate
CID 116632162
1-methyl-5-[[methyl(piperidin-4-ylmethyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116632447
ethyl 1-methyl-5-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyrazole-4-carboxylate
CID 116631787
ethyl 1-methyl-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrazole-4-carboxylate
CID 116632028
ethyl 1-methyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]pyrazole-4-carboxylate
CID 124574199
ethyl 1-methyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrazole-4-carboxylate
CID 124574200
ethyl 5-[[bis(2-methoxyethyl)amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116631873
ethyl 5-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole-4-carboxylate
CID 116632264
ethyl 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-1-methylpyrazole-4-carboxylate
CID 116632169

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]pyrazole-4-carboxylate (CID 116632127) is ethyl 1-methyl-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1CN(C)CC1CCN(C)C1.
What is the InChIKey of ethyl 1-methyl-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]pyrazole-4-carboxylate?
The InChIKey is NGYKXLFFXVIVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-21-15(20)13-8-16-19(4)14(13)11-18(3)10-12-6-7-17(2)9-12/h8,12H,5-7,9-11H2,1-4H3.
What are the key properties of ethyl 1-methyl-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]pyrazole-4-carboxylate?
ethyl 1-methyl-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]pyrazole-4-carboxylate has a molecular weight of 294.40 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 116632127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).