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

C15H23N3O2 — CID 116630971

IUPACethyl 5-[(dicyclopropylmethylamino)methyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1CNC(C1CC1)C1CC1
InChIInChI=1S/C15H23N3O2/c1-3-20-15(19)12-8-17-18(2)13(12)9-16-14(10-4-5-10)11-6-7-11/h8,10-11,14,16H,3-7,9H2,1-2H3
InChIKeyFHSIFFAUHNSMDJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.88
Rot. Bonds7

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

ethyl 5-[(dicyclopropylmethylamino)methyl]-1-methylpyrazole-4-carboxylate (PubChem CID 116630971) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is ethyl 5-[(dicyclopropylmethylamino)methyl]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(dicyclopropylmethylamino)methyl]-1-methylpyrazole-4-carboxylate
PubChem CID116630971
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nameethyl 5-[(dicyclopropylmethylamino)methyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1CNC(C1CC1)C1CC1
InChIInChI=1S/C15H23N3O2/c1-3-20-15(19)12-8-17-18(2)13(12)9-16-14(10-4-5-10)11-6-7-11/h8,10-11,14,16H,3-7,9H2,1-2H3
InChIKeyFHSIFFAUHNSMDJ-UHFFFAOYSA-N
XLogP1.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[(1-hydroxybutan-2-ylamino)methyl]-1-methylpyrazole-4-carboxylate
CID 116630783
ethyl 5-[[1-(dimethylamino)propan-2-ylamino]methyl]-1-methylpyrazole-4-carboxylate
CID 116631467
ethyl 1-methyl-5-[[(2-methylcyclopropyl)amino]methyl]pyrazole-4-carboxylate
CID 116631108
ethyl 5-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116631475
ethyl 1-methyl-5-[(2-propan-2-yloxyethylamino)methyl]pyrazole-4-carboxylate
CID 116631548
ethyl 5-[(3-ethylpentan-3-ylamino)methyl]-1-methylpyrazole-4-carboxylate
CID 116631277
ethyl 1-methyl-5-[(1-pyridin-4-ylethylamino)methyl]pyrazole-4-carboxylate
CID 116630796
ethyl 5-[[(3,5-dimethylcyclohexyl)amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116631256
ethyl 5-[(2-hydroxyethylamino)methyl]-1-methylpyrazole-4-carboxylate
CID 116630781
ethyl 1-methyl-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazole-4-carboxylate
CID 116631244
ethyl 1-methyl-5-[(4-methylanilino)methyl]pyrazole-4-carboxylate
CID 116630695
ethyl 5-[[cyclopropyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116631754

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(dicyclopropylmethylamino)methyl]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(dicyclopropylmethylamino)methyl]-1-methylpyrazole-4-carboxylate (CID 116630971) is ethyl 5-[(dicyclopropylmethylamino)methyl]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(dicyclopropylmethylamino)methyl]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(dicyclopropylmethylamino)methyl]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1CNC(C1CC1)C1CC1.
What is the InChIKey of ethyl 5-[(dicyclopropylmethylamino)methyl]-1-methylpyrazole-4-carboxylate?
The InChIKey is FHSIFFAUHNSMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-20-15(19)12-8-17-18(2)13(12)9-16-14(10-4-5-10)11-6-7-11/h8,10-11,14,16H,3-7,9H2,1-2H3.
What are the key properties of ethyl 5-[(dicyclopropylmethylamino)methyl]-1-methylpyrazole-4-carboxylate?
ethyl 5-[(dicyclopropylmethylamino)methyl]-1-methylpyrazole-4-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(dicyclopropylmethylamino)methyl]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 116630971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).