(7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine

C14H15N3O — CID 105185597

IUPAC(7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine
SMILESCc1cccc2cc(C(N)c3ccnn3C)oc12
InChIInChI=1S/C14H15N3O/c1-9-4-3-5-10-8-12(18-14(9)10)13(15)11-6-7-16-17(11)2/h3-8,13H,15H2,1-2H3
InChIKeyGFQFJMCKBGHLBW-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.52
Rot. Bonds2

About (7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine

(7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine (PubChem CID 105185597) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is (7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine
PubChem CID105185597
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name(7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine
SMILESCc1cccc2cc(C(N)c3ccnn3C)oc12
InChIInChI=1S/C14H15N3O/c1-9-4-3-5-10-8-12(18-14(9)10)13(15)11-6-7-16-17(11)2/h3-8,13H,15H2,1-2H3
InChIKeyGFQFJMCKBGHLBW-UHFFFAOYSA-N
XLogP2.52
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7-methyl-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanamine
CID 106755901
(2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185520
(2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 106693197
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
(3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 112614663
(7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 105045627
1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105185570
(2,6-dimethyl-4-pyridinyl)-(2-methylpyrazol-3-yl)methanamine
CID 107503143
(4-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 106758771
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045662
(3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107103118
furan-2-yl-(2-methylpyrazol-3-yl)methanamine
CID 63962037

Frequently Asked Questions

What is the IUPAC name of (7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of (7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine (CID 105185597) is (7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine is Cc1cccc2cc(C(N)c3ccnn3C)oc12.
What is the InChIKey of (7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is GFQFJMCKBGHLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-4-3-5-10-8-12(18-14(9)10)13(15)11-6-7-16-17(11)2/h3-8,13H,15H2,1-2H3.
What are the key properties of (7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine?
(7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 241.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 105185597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).