N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylpyrazol-4-amine

C14H15N3O2 — CID 43776636

IUPACN-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylpyrazol-4-amine
SMILESCOc1cccc2cc(CNc3cnn(C)c3)oc12
InChIInChI=1S/C14H15N3O2/c1-17-9-11(7-16-17)15-8-12-6-10-4-3-5-13(18-2)14(10)19-12/h3-7,9,15H,8H2,1-2H3
InChIKeyQTHNZLAOICCEPV-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.79
Rot. Bonds4

About N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylpyrazol-4-amine

N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylpyrazol-4-amine (PubChem CID 43776636) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylpyrazol-4-amine
PubChem CID43776636
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylpyrazol-4-amine
SMILESCOc1cccc2cc(CNc3cnn(C)c3)oc12
InChIInChI=1S/C14H15N3O2/c1-17-9-11(7-16-17)15-8-12-6-10-4-3-5-13(18-2)14(10)19-12/h3-7,9,15H,8H2,1-2H3
InChIKeyQTHNZLAOICCEPV-UHFFFAOYSA-N
XLogP2.79
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylpyrazol-4-amine (CID 43776636) is N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylpyrazol-4-amine is COc1cccc2cc(CNc3cnn(C)c3)oc12.
What is the InChIKey of N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylpyrazol-4-amine?
The InChIKey is QTHNZLAOICCEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-17-9-11(7-16-17)15-8-12-6-10-4-3-5-13(18-2)14(10)19-12/h3-7,9,15H,8H2,1-2H3.
What are the key properties of N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylpyrazol-4-amine?
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylpyrazol-4-amine has a molecular weight of 257.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 43776636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).