N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-dimethylpyrazol-4-amine

C14H17N3O — CID 102805247

IUPACN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)cc1NCC1COc2ccccc21
InChIInChI=1S/C14H17N3O/c1-10-13(8-17(2)16-10)15-7-11-9-18-14-6-4-3-5-12(11)14/h3-6,8,11,15H,7,9H2,1-2H3
InChIKeyJSORVDKLEODUIE-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.32
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-dimethylpyrazol-4-amine

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-dimethylpyrazol-4-amine (PubChem CID 102805247) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-dimethylpyrazol-4-amine
PubChem CID102805247
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)cc1NCC1COc2ccccc21
InChIInChI=1S/C14H17N3O/c1-10-13(8-17(2)16-10)15-7-11-9-18-14-6-4-3-5-12(11)14/h3-6,8,11,15H,7,9H2,1-2H3
InChIKeyJSORVDKLEODUIE-UHFFFAOYSA-N
XLogP2.32
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-iodoaniline
CID 79226500
2-(1-chloroethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
CID 79229682
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)benzonitrile
CID 79226177
2-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
CID 79218637
N-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine
CID 102804461
1,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-4-amine
CID 130708465
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 79218652
2-(difluoromethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
CID 79218655
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,5-difluoroaniline
CID 107611014
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 110751798
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
CID 79226749
1,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]pyrazol-4-amine
CID 102804468

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-dimethylpyrazol-4-amine (CID 102805247) is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-dimethylpyrazol-4-amine is Cc1nn(C)cc1NCC1COc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-dimethylpyrazol-4-amine?
The InChIKey is JSORVDKLEODUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-13(8-17(2)16-10)15-7-11-9-18-14-6-4-3-5-12(11)14/h3-6,8,11,15H,7,9H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-dimethylpyrazol-4-amine?
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-dimethylpyrazol-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 102805247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).