N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methyl]propan-2-amine

C17H23N3O — CID 104771756

IUPACN-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccn(CC2CCOc3ccccc32)n1
InChIInChI=1S/C17H23N3O/c1-13(2)18-11-15-7-9-20(19-15)12-14-8-10-21-17-6-4-3-5-16(14)17/h3-7,9,13-14,18H,8,10-12H2,1-2H3
InChIKeyIZLHPPFJZSXOIC-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.95
Rot. Bonds5

About N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methyl]propan-2-amine

N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methyl]propan-2-amine (PubChem CID 104771756) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methyl]propan-2-amine
PubChem CID104771756
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccn(CC2CCOc3ccccc32)n1
InChIInChI=1S/C17H23N3O/c1-13(2)18-11-15-7-9-20(19-15)12-14-8-10-21-17-6-4-3-5-16(14)17/h3-7,9,13-14,18H,8,10-12H2,1-2H3
InChIKeyIZLHPPFJZSXOIC-UHFFFAOYSA-N
XLogP2.95
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine
CID 104768448
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-iodo-1,2,4-triazole
CID 104772475
4-(1-bromoethyl)-1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazole
CID 104771073
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylimidazole
CID 104771549
methyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-triazole-3-carboxylate
CID 104768768
N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]methyl]ethanamine
CID 104769087
1-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]-N-methylmethanamine
CID 104769097
1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 65407389
N-[[1-(2-cyclohexylethyl)pyrazol-3-yl]methyl]propan-2-amine
CID 114192839
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrazol-3-yl]methyl]-2-methylpropan-1-amine
CID 79215045
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propylimidazole
CID 104771550
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-2-amine
CID 104770992

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methyl]propan-2-amine (CID 104771756) is N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methyl]propan-2-amine is CC(C)NCc1ccn(CC2CCOc3ccccc32)n1.
What is the InChIKey of N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methyl]propan-2-amine?
The InChIKey is IZLHPPFJZSXOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(2)18-11-15-7-9-20(19-15)12-14-8-10-21-17-6-4-3-5-16(14)17/h3-7,9,13-14,18H,8,10-12H2,1-2H3.
What are the key properties of N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methyl]propan-2-amine?
N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methyl]propan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 104771756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).