[3-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,4-dihydrochromen-3-yl]methanamine

C17H23N3O — CID 65407879

IUPAC[3-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,4-dihydrochromen-3-yl]methanamine
SMILESCC(C)n1ccc(CC2(CN)COc3ccccc3C2)n1
InChIInChI=1S/C17H23N3O/c1-13(2)20-8-7-15(19-20)10-17(11-18)9-14-5-3-4-6-16(14)21-12-17/h3-8,13H,9-12,18H2,1-2H3
InChIKeyCVILOWKTGDETLE-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.59
Rot. Bonds4

About [3-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,4-dihydrochromen-3-yl]methanamine

[3-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,4-dihydrochromen-3-yl]methanamine (PubChem CID 65407879) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [3-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,4-dihydrochromen-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,4-dihydrochromen-3-yl]methanamine
PubChem CID65407879
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[3-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,4-dihydrochromen-3-yl]methanamine
SMILESCC(C)n1ccc(CC2(CN)COc3ccccc3C2)n1
InChIInChI=1S/C17H23N3O/c1-13(2)20-8-7-15(19-20)10-17(11-18)9-14-5-3-4-6-16(14)21-12-17/h3-8,13H,9-12,18H2,1-2H3
InChIKeyCVILOWKTGDETLE-UHFFFAOYSA-N
XLogP2.59
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-yl]methanamine
CID 65408274
[3-(2-ethylbutyl)-2,4-dihydrochromen-3-yl]methanamine
CID 82934859
[3-(furan-3-ylmethyl)-2,4-dihydrochromen-3-yl]methanamine
CID 83183019
4-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydrochromen-4-amine
CID 65422015
1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 65407021
3-[(1-methylpyrazol-3-yl)methyl]-2,4-dihydrochromene-3-carboxylic acid
CID 82871618
3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-amine
CID 65020049
[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-3-yl]methanol
CID 66060084
[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine
CID 64778489
1-(aminomethyl)-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 64772866
N-[[3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 64771405
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65352402

Frequently Asked Questions

What is the IUPAC name of [3-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,4-dihydrochromen-3-yl]methanamine?
The IUPAC name of [3-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,4-dihydrochromen-3-yl]methanamine (CID 65407879) is [3-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,4-dihydrochromen-3-yl]methanamine.
What is the SMILES notation for [3-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,4-dihydrochromen-3-yl]methanamine?
The canonical SMILES for [3-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,4-dihydrochromen-3-yl]methanamine is CC(C)n1ccc(CC2(CN)COc3ccccc3C2)n1.
What is the InChIKey of [3-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,4-dihydrochromen-3-yl]methanamine?
The InChIKey is CVILOWKTGDETLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(2)20-8-7-15(19-20)10-17(11-18)9-14-5-3-4-6-16(14)21-12-17/h3-8,13H,9-12,18H2,1-2H3.
What are the key properties of [3-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,4-dihydrochromen-3-yl]methanamine?
[3-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,4-dihydrochromen-3-yl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,4-dihydrochromen-3-yl]methanamine is sourced from PubChem (CID 65407879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).