1-(2-ethylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine

C14H21N3O — CID 115858110

IUPAC1-(2-ethylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCCn1nccc1C(NC)c1c(C)oc(C)c1C
InChIInChI=1S/C14H21N3O/c1-6-17-12(7-8-16-17)14(15-5)13-9(2)10(3)18-11(13)4/h7-8,14-15H,6H2,1-5H3
InChIKeyMIZKHNQMIZICIT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.73
Rot. Bonds4

About 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine

1-(2-ethylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine (PubChem CID 115858110) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
PubChem CID115858110
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(2-ethylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCCn1nccc1C(NC)c1c(C)oc(C)c1C
InChIInChI=1S/C14H21N3O/c1-6-17-12(7-8-16-17)14(15-5)13-9(2)10(3)18-11(13)4/h7-8,14-15H,6H2,1-5H3
InChIKeyMIZKHNQMIZICIT-UHFFFAOYSA-N
XLogP2.73
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromofuran-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 115857997
1-(2-ethylpyrazol-3-yl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 105148456
1-(2-ethylpyrazol-3-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 115858049
1-(2-chloro-3-methylphenyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 115857986
1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 105148320
1-(2-ethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 81276228
1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 63977212
N-methyl-1-(1-propylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65152000
1-(3-chloro-4-iodophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 103215300
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-methylquinolin-2-yl)methanamine
CID 114755178
1-(4-tert-butylthiadiazol-5-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 105148452
1-(2-ethylpyrazol-3-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105148286

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine (CID 115858110) is 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine is CCn1nccc1C(NC)c1c(C)oc(C)c1C.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The InChIKey is MIZKHNQMIZICIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-6-17-12(7-8-16-17)14(15-5)13-9(2)10(3)18-11(13)4/h7-8,14-15H,6H2,1-5H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine has a molecular weight of 247.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine is sourced from PubChem (CID 115858110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).