(1,3-dimethylpyrazol-4-yl)-(3-methyl-1-benzofuran-2-yl)methanamine

C15H17N3O — CID 65197301

IUPAC(1,3-dimethylpyrazol-4-yl)-(3-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1nn(C)cc1C(N)c1oc2ccccc2c1C
InChIInChI=1S/C15H17N3O/c1-9-11-6-4-5-7-13(11)19-15(9)14(16)12-8-18(3)17-10(12)2/h4-8,14H,16H2,1-3H3
InChIKeyNXCRPKUAXKXGJR-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.83
Rot. Bonds2

About (1,3-dimethylpyrazol-4-yl)-(3-methyl-1-benzofuran-2-yl)methanamine

(1,3-dimethylpyrazol-4-yl)-(3-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 65197301) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-(3-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-(3-methyl-1-benzofuran-2-yl)methanamine
PubChem CID65197301
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name(1,3-dimethylpyrazol-4-yl)-(3-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1nn(C)cc1C(N)c1oc2ccccc2c1C
InChIInChI=1S/C15H17N3O/c1-9-11-6-4-5-7-13(11)19-15(9)14(16)12-8-18(3)17-10(12)2/h4-8,14H,16H2,1-3H3
InChIKeyNXCRPKUAXKXGJR-UHFFFAOYSA-N
XLogP2.83
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-(3-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-(3-methyl-1-benzofuran-2-yl)methanamine (CID 65197301) is (1,3-dimethylpyrazol-4-yl)-(3-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-(3-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-(3-methyl-1-benzofuran-2-yl)methanamine is Cc1nn(C)cc1C(N)c1oc2ccccc2c1C.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-(3-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is NXCRPKUAXKXGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-9-11-6-4-5-7-13(11)19-15(9)14(16)12-8-18(3)17-10(12)2/h4-8,14H,16H2,1-3H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-(3-methyl-1-benzofuran-2-yl)methanamine?
(1,3-dimethylpyrazol-4-yl)-(3-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 255.32 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-(3-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 65197301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).