3,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-4-amine

C15H19N3O — CID 66360979

IUPAC3,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-4-amine
SMILESCc1ccc2c(c1)CC(Cn1nc(C)c(N)c1C)O2
InChIInChI=1S/C15H19N3O/c1-9-4-5-14-12(6-9)7-13(19-14)8-18-11(3)15(16)10(2)17-18/h4-6,13H,7-8,16H2,1-3H3
InChIKeyZVIMDTAYUGFGOH-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.39
Rot. Bonds2

About 3,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-4-amine

3,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-4-amine (PubChem CID 66360979) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-4-amine
PubChem CID66360979
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-4-amine
SMILESCc1ccc2c(c1)CC(Cn1nc(C)c(N)c1C)O2
InChIInChI=1S/C15H19N3O/c1-9-4-5-14-12(6-9)7-13(19-14)8-18-11(3)15(16)10(2)17-18/h4-6,13H,7-8,16H2,1-3H3
InChIKeyZVIMDTAYUGFGOH-UHFFFAOYSA-N
XLogP2.39
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-4-amine with MolForge

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Related Compounds

4-chloro-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-3-amine
CID 66361747
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine
CID 66360837
[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]methanamine
CID 66361908
N-[[5-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 66393303
ethyl 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]tetrazole-5-carboxylate
CID 79309080
4,5-dichloro-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridazin-3-one
CID 114386479
3-ethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine
CID 66392147
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-5-amine
CID 66362726
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 66360414
2-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]triazol-4-yl]ethanamine
CID 116641797
5-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-amine
CID 79993423
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-4-amine (CID 66360979) is 3,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-4-amine is Cc1ccc2c(c1)CC(Cn1nc(C)c(N)c1C)O2.
What is the InChIKey of 3,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-4-amine?
The InChIKey is ZVIMDTAYUGFGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-4-5-14-12(6-9)7-13(19-14)8-18-11(3)15(16)10(2)17-18/h4-6,13H,7-8,16H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-4-amine?
3,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-4-amine has a molecular weight of 257.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 66360979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).