ethyl 5-[[cyclopropyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate

C12H19N3O2 — CID 116631754

IUPACethyl 5-[[cyclopropyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1CN(C)C1CC1
InChIInChI=1S/C12H19N3O2/c1-4-17-12(16)10-7-13-15(3)11(10)8-14(2)9-5-6-9/h7,9H,4-6,8H2,1-3H3
InChIKeyNNXHDXDNFDYYGO-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.19
Rot. Bonds5

About ethyl 5-[[cyclopropyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate

ethyl 5-[[cyclopropyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate (PubChem CID 116631754) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 5-[[cyclopropyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[cyclopropyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate
PubChem CID116631754
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nameethyl 5-[[cyclopropyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1CN(C)C1CC1
InChIInChI=1S/C12H19N3O2/c1-4-17-12(16)10-7-13-15(3)11(10)8-14(2)9-5-6-9/h7,9H,4-6,8H2,1-3H3
InChIKeyNNXHDXDNFDYYGO-UHFFFAOYSA-N
XLogP1.19
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[[cyclopentylmethyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116632142
1-methyl-5-[[methyl-(4-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116631898
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-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyrazole-4-carboxylate
CID 116631787
ethyl 5-[(dicyclopropylmethylamino)methyl]-1-methylpyrazole-4-carboxylate
CID 116630971
ethyl 5-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole-4-carboxylate
CID 116632264
ethyl 5-[[ethyl(2-methylbutyl)amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116632227
ethyl 5-[(3-cyclopropylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate
CID 116630344
ethyl 1-methyl-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrazole-4-carboxylate
CID 116632028
ethyl 5-(butoxymethyl)-1-methylpyrazole-4-carboxylate
CID 116629704
ethyl 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-1-methylpyrazole-4-carboxylate
CID 116632169

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[cyclopropyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[[cyclopropyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate (CID 116631754) is ethyl 5-[[cyclopropyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[cyclopropyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[cyclopropyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1CN(C)C1CC1.
What is the InChIKey of ethyl 5-[[cyclopropyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate?
The InChIKey is NNXHDXDNFDYYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-17-12(16)10-7-13-15(3)11(10)8-14(2)9-5-6-9/h7,9H,4-6,8H2,1-3H3.
What are the key properties of ethyl 5-[[cyclopropyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate?
ethyl 5-[[cyclopropyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[cyclopropyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 116631754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).