ethyl 1-methyl-5-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyrazole-4-carboxylate

C14H19N3O2S — CID 116631787

IUPACethyl 1-methyl-5-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1CN(C)Cc1cccs1
InChIInChI=1S/C14H19N3O2S/c1-4-19-14(18)12-8-15-17(3)13(12)10-16(2)9-11-6-5-7-20-11/h5-8H,4,9-10H2,1-3H3
InChIKeyFOIYOSMKPYTZPE-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.29
Rot. Bonds6

About ethyl 1-methyl-5-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyrazole-4-carboxylate

ethyl 1-methyl-5-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyrazole-4-carboxylate (PubChem CID 116631787) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is ethyl 1-methyl-5-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyrazole-4-carboxylate
PubChem CID116631787
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Nameethyl 1-methyl-5-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1CN(C)Cc1cccs1
InChIInChI=1S/C14H19N3O2S/c1-4-19-14(18)12-8-15-17(3)13(12)10-16(2)9-11-6-5-7-20-11/h5-8H,4,9-10H2,1-3H3
InChIKeyFOIYOSMKPYTZPE-UHFFFAOYSA-N
XLogP2.29
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-methyl-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrazole-4-carboxylate
CID 116632028
ethyl 5-[[cyclopropyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116631754
ethyl 5-[[cyclopentylmethyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116632142
ethyl 1-methyl-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]pyrazole-4-carboxylate
CID 116632127
ethyl 5-[[bis(2-methoxyethyl)amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116631873
ethyl 1-methyl-5-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrazole-4-carboxylate
CID 116630304
ethyl 1-methyl-5-[(4-methylphenyl)sulfinylmethyl]pyrazole-4-carboxylate
CID 116632493
ethyl 5-amino-1-(2-thiophen-2-ylacetyl)pyrazole-4-carboxylate
CID 110472588
ethyl 5-[(2-chlorophenyl)sulfinylmethyl]-1-methylpyrazole-4-carboxylate
CID 116632491
ethyl 1-methyl-5-[[(3-methylthiophen-2-yl)methylamino]methyl]pyrazole-4-carboxylate
CID 116631380
ethyl 5-[[ethyl(2-methylbutyl)amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116632227
ethyl 1-methyl-5-(thiophen-2-ylsulfonylamino)pyrazole-4-carboxylate
CID 108782501

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyrazole-4-carboxylate (CID 116631787) is ethyl 1-methyl-5-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1CN(C)Cc1cccs1.
What is the InChIKey of ethyl 1-methyl-5-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyrazole-4-carboxylate?
The InChIKey is FOIYOSMKPYTZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-19-14(18)12-8-15-17(3)13(12)10-16(2)9-11-6-5-7-20-11/h5-8H,4,9-10H2,1-3H3.
What are the key properties of ethyl 1-methyl-5-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyrazole-4-carboxylate?
ethyl 1-methyl-5-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyrazole-4-carboxylate has a molecular weight of 293.39 g/mol, XLogP of 2.29, 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(thiophen-2-ylmethyl)amino]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 116631787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).