1,3-dihydro-2-benzofuran-5-yl-(2-propylpyrazol-3-yl)methanamine

C15H19N3O — CID 115857588

IUPAC1,3-dihydro-2-benzofuran-5-yl-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1ccc2c(c1)COC2
InChIInChI=1S/C15H19N3O/c1-2-7-18-14(5-6-17-18)15(16)11-3-4-12-9-19-10-13(12)8-11/h3-6,8,15H,2,7,9-10,16H2,1H3
InChIKeyLJSZBWCJFDCHJR-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.37
Rot. Bonds4

About 1,3-dihydro-2-benzofuran-5-yl-(2-propylpyrazol-3-yl)methanamine

1,3-dihydro-2-benzofuran-5-yl-(2-propylpyrazol-3-yl)methanamine (PubChem CID 115857588) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(2-propylpyrazol-3-yl)methanamine
PubChem CID115857588
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1ccc2c(c1)COC2
InChIInChI=1S/C15H19N3O/c1-2-7-18-14(5-6-17-18)15(16)11-3-4-12-9-19-10-13(12)8-11/h3-6,8,15H,2,7,9-10,16H2,1H3
InChIKeyLJSZBWCJFDCHJR-UHFFFAOYSA-N
XLogP2.37
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dihydro-2-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine
CID 105038767
(3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857375
(3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977003
(3-chloro-4-iodophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 103215295
(6-bromonaphthalen-2-yl)-(2-propylpyrazol-3-yl)methanamine
CID 115857744
(4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857696
(3-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63974663
[(4-chloro-1-propylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]hydrazine
CID 105337137
1-(2-propylpyrazol-3-yl)hexan-1-amine
CID 115857677
1,3-dihydro-2-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanol
CID 115799051
(2-propylpyrazol-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 65363418
(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 105042598

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(2-propylpyrazol-3-yl)methanamine (CID 115857588) is 1,3-dihydro-2-benzofuran-5-yl-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1C(N)c1ccc2c(c1)COC2.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is LJSZBWCJFDCHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-7-18-14(5-6-17-18)15(16)11-3-4-12-9-19-10-13(12)8-11/h3-6,8,15H,2,7,9-10,16H2,1H3.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(2-propylpyrazol-3-yl)methanamine?
1,3-dihydro-2-benzofuran-5-yl-(2-propylpyrazol-3-yl)methanamine has a molecular weight of 257.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 115857588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).