1-[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]-N-methylmethanamine

C15H17N3O — CID 62111513

IUPAC1-[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]-N-methylmethanamine
SMILESCCc1c(-c2cc(CNC)[nH]n2)oc2ccccc12
InChIInChI=1S/C15H17N3O/c1-3-11-12-6-4-5-7-14(12)19-15(11)13-8-10(9-16-2)17-18-13/h4-8,16H,3,9H2,1-2H3,(H,17,18)
InChIKeyQWWKGYVLPMHLON-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.10
Rot. Bonds4

About 1-[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]-N-methylmethanamine

1-[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]-N-methylmethanamine (PubChem CID 62111513) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]-N-methylmethanamine
PubChem CID62111513
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]-N-methylmethanamine
SMILESCCc1c(-c2cc(CNC)[nH]n2)oc2ccccc12
InChIInChI=1S/C15H17N3O/c1-3-11-12-6-4-5-7-14(12)19-15(11)13-8-10(9-16-2)17-18-13/h4-8,16H,3,9H2,1-2H3,(H,17,18)
InChIKeyQWWKGYVLPMHLON-UHFFFAOYSA-N
XLogP3.10
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]-N-methylmethanamine (CID 62111513) is 1-[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]-N-methylmethanamine is CCc1c(-c2cc(CNC)[nH]n2)oc2ccccc12.
What is the InChIKey of 1-[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]-N-methylmethanamine?
The InChIKey is QWWKGYVLPMHLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-3-11-12-6-4-5-7-14(12)19-15(11)13-8-10(9-16-2)17-18-13/h4-8,16H,3,9H2,1-2H3,(H,17,18).
What are the key properties of 1-[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]-N-methylmethanamine?
1-[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]-N-methylmethanamine has a molecular weight of 255.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 62111513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).