ethyl 1-methyl-5-[[(1-methylcyclobutyl)methylamino]methyl]pyrazole-4-carboxylate

C14H23N3O2 — CID 114107897

IUPACethyl 1-methyl-5-[[(1-methylcyclobutyl)methylamino]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1CNCC1(C)CCC1
InChIInChI=1S/C14H23N3O2/c1-4-19-13(18)11-8-16-17(3)12(11)9-15-10-14(2)6-5-7-14/h8,15H,4-7,9-10H2,1-3H3
InChIKeyZVOOUFIVSITLCZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.88
Rot. Bonds6

About ethyl 1-methyl-5-[[(1-methylcyclobutyl)methylamino]methyl]pyrazole-4-carboxylate

ethyl 1-methyl-5-[[(1-methylcyclobutyl)methylamino]methyl]pyrazole-4-carboxylate (PubChem CID 114107897) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 1-methyl-5-[[(1-methylcyclobutyl)methylamino]methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-[[(1-methylcyclobutyl)methylamino]methyl]pyrazole-4-carboxylate
PubChem CID114107897
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 1-methyl-5-[[(1-methylcyclobutyl)methylamino]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1CNCC1(C)CCC1
InChIInChI=1S/C14H23N3O2/c1-4-19-13(18)11-8-16-17(3)12(11)9-15-10-14(2)6-5-7-14/h8,15H,4-7,9-10H2,1-3H3
InChIKeyZVOOUFIVSITLCZ-UHFFFAOYSA-N
XLogP1.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-methyl-5-[[(1-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylate
CID 116631047
ethyl 5-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116631653
ethyl 5-[(2-hydroxyethylamino)methyl]-1-methylpyrazole-4-carboxylate
CID 116630781
ethyl 5-[(3-ethylpentan-3-ylamino)methyl]-1-methylpyrazole-4-carboxylate
CID 116631277
ethyl 1-methyl-5-[[(3-methylthiophen-2-yl)methylamino]methyl]pyrazole-4-carboxylate
CID 116631380
ethyl 1-methyl-5-[(octylamino)methyl]pyrazole-4-carboxylate
CID 116631446
ethyl 1-methyl-5-[(2-propan-2-yloxyethylamino)methyl]pyrazole-4-carboxylate
CID 116631548
ethyl 5-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-1-methylpyrazole-4-carboxylate
CID 106256100
ethyl 1-methyl-5-[(oxan-2-ylmethylamino)methyl]pyrazole-4-carboxylate
CID 116631011
ethyl 1-methyl-5-[[(2-methylcyclopropyl)amino]methyl]pyrazole-4-carboxylate
CID 116631108
ethyl 1-methyl-5-[[[3-oxo-3-(propylamino)propyl]amino]methyl]pyrazole-4-carboxylate
CID 116631049
ethyl 5-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116631475

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-[[(1-methylcyclobutyl)methylamino]methyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-[[(1-methylcyclobutyl)methylamino]methyl]pyrazole-4-carboxylate (CID 114107897) is ethyl 1-methyl-5-[[(1-methylcyclobutyl)methylamino]methyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-[[(1-methylcyclobutyl)methylamino]methyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-[[(1-methylcyclobutyl)methylamino]methyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1CNCC1(C)CCC1.
What is the InChIKey of ethyl 1-methyl-5-[[(1-methylcyclobutyl)methylamino]methyl]pyrazole-4-carboxylate?
The InChIKey is ZVOOUFIVSITLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-19-13(18)11-8-16-17(3)12(11)9-15-10-14(2)6-5-7-14/h8,15H,4-7,9-10H2,1-3H3.
What are the key properties of ethyl 1-methyl-5-[[(1-methylcyclobutyl)methylamino]methyl]pyrazole-4-carboxylate?
ethyl 1-methyl-5-[[(1-methylcyclobutyl)methylamino]methyl]pyrazole-4-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-[[(1-methylcyclobutyl)methylamino]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 114107897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).