4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydrazinylpropyl]-1-methylpyrazol-5-amine

C15H21N5O — CID 105230739

IUPAC4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydrazinylpropyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(C(CCc2ccc3c(c2)CCO3)NN)c1N
InChIInChI=1S/C15H21N5O/c1-20-15(16)12(9-18-20)13(19-17)4-2-10-3-5-14-11(8-10)6-7-21-14/h3,5,8-9,13,19H,2,4,6-7,16-17H2,1H3
InChIKeyXVQDXNUHNJAJKN-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.07
Rot. Bonds5

About 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydrazinylpropyl]-1-methylpyrazol-5-amine

4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydrazinylpropyl]-1-methylpyrazol-5-amine (PubChem CID 105230739) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydrazinylpropyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydrazinylpropyl]-1-methylpyrazol-5-amine
PubChem CID105230739
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydrazinylpropyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(C(CCc2ccc3c(c2)CCO3)NN)c1N
InChIInChI=1S/C15H21N5O/c1-20-15(16)12(9-18-20)13(19-17)4-2-10-3-5-14-11(8-10)6-7-21-14/h3,5,8-9,13,19H,2,4,6-7,16-17H2,1H3
InChIKeyXVQDXNUHNJAJKN-UHFFFAOYSA-N
XLogP1.07
TPSA91.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-3-pyridinyl)propyl]hydrazine
CID 105279768
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridazin-4-ylpropyl]hydrazine
CID 105310446
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methylfuran-2-yl)propyl]hydrazine
CID 105310452
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine
CID 105213803
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-ethylfuran-2-yl)propyl]hydrazine
CID 105310456
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methyl-2-pyridinyl)propyl]hydrazine
CID 105209146
1-(5-amino-1H-pyrazol-4-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 65445130
[1-(3-bromo-2-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine
CID 105267998
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethoxybutan-2-yl]hydrazine
CID 105235222
[4-(2,3-dihydro-1-benzofuran-5-yl)-1,1-difluorobutan-2-yl]hydrazine
CID 105265014
[1-cyclopropyl-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine
CID 105202382
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 65445324

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydrazinylpropyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydrazinylpropyl]-1-methylpyrazol-5-amine (CID 105230739) is 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydrazinylpropyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydrazinylpropyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydrazinylpropyl]-1-methylpyrazol-5-amine is Cn1ncc(C(CCc2ccc3c(c2)CCO3)NN)c1N.
What is the InChIKey of 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydrazinylpropyl]-1-methylpyrazol-5-amine?
The InChIKey is XVQDXNUHNJAJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-20-15(16)12(9-18-20)13(19-17)4-2-10-3-5-14-11(8-10)6-7-21-14/h3,5,8-9,13,19H,2,4,6-7,16-17H2,1H3.
What are the key properties of 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydrazinylpropyl]-1-methylpyrazol-5-amine?
4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydrazinylpropyl]-1-methylpyrazol-5-amine has a molecular weight of 287.37 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydrazinylpropyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 105230739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).