methyl 5-[[(1-ethylpyrazol-4-yl)amino]methyl]furan-2-carboxylate

C12H15N3O3 — CID 43777055

IUPACmethyl 5-[[(1-ethylpyrazol-4-yl)amino]methyl]furan-2-carboxylate
SMILESCCn1cc(NCc2ccc(C(=O)OC)o2)cn1
InChIInChI=1S/C12H15N3O3/c1-3-15-8-9(6-14-15)13-7-10-4-5-11(18-10)12(16)17-2/h4-6,8,13H,3,7H2,1-2H3
InChIKeyNQGGFFJYWDNWTG-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.89
Rot. Bonds5

About methyl 5-[[(1-ethylpyrazol-4-yl)amino]methyl]furan-2-carboxylate

methyl 5-[[(1-ethylpyrazol-4-yl)amino]methyl]furan-2-carboxylate (PubChem CID 43777055) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 5-[[(1-ethylpyrazol-4-yl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(1-ethylpyrazol-4-yl)amino]methyl]furan-2-carboxylate
PubChem CID43777055
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Namemethyl 5-[[(1-ethylpyrazol-4-yl)amino]methyl]furan-2-carboxylate
SMILESCCn1cc(NCc2ccc(C(=O)OC)o2)cn1
InChIInChI=1S/C12H15N3O3/c1-3-15-8-9(6-14-15)13-7-10-4-5-11(18-10)12(16)17-2/h4-6,8,13H,3,7H2,1-2H3
InChIKeyNQGGFFJYWDNWTG-UHFFFAOYSA-N
XLogP1.89
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol
CID 19627559
methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 920228
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
N-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride
CID 126966280
1-benzyl-N-[(5-ethylfuran-2-yl)methyl]pyrazol-4-amine
CID 62345818
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965183
methyl 5-[[4-[(4-bromo-1-ethyl-3-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate
CID 3418415
methyl 5-[(4-nitroanilino)methyl]furan-2-carboxylate
CID 43222339
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
CID 19625859
methyl 5-[(3,5-dichloro-4-fluoroanilino)methyl]furan-2-carboxylate
CID 107572628
2-[4-[(5-bromofuran-2-yl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 54866454
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 19626405

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1-ethylpyrazol-4-yl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(1-ethylpyrazol-4-yl)amino]methyl]furan-2-carboxylate (CID 43777055) is methyl 5-[[(1-ethylpyrazol-4-yl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(1-ethylpyrazol-4-yl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(1-ethylpyrazol-4-yl)amino]methyl]furan-2-carboxylate is CCn1cc(NCc2ccc(C(=O)OC)o2)cn1.
What is the InChIKey of methyl 5-[[(1-ethylpyrazol-4-yl)amino]methyl]furan-2-carboxylate?
The InChIKey is NQGGFFJYWDNWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-3-15-8-9(6-14-15)13-7-10-4-5-11(18-10)12(16)17-2/h4-6,8,13H,3,7H2,1-2H3.
What are the key properties of methyl 5-[[(1-ethylpyrazol-4-yl)amino]methyl]furan-2-carboxylate?
methyl 5-[[(1-ethylpyrazol-4-yl)amino]methyl]furan-2-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(1-ethylpyrazol-4-yl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 43777055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).