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

C16H21N3O — CID 65422015

IUPAC4-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydrochromen-4-amine
SMILESCC(C)n1ccc(CC2(N)CCOc3ccccc32)n1
InChIInChI=1S/C16H21N3O/c1-12(2)19-9-7-13(18-19)11-16(17)8-10-20-15-6-4-3-5-14(15)16/h3-7,9,12H,8,10-11,17H2,1-2H3
InChIKeyJFBCSBNUEYZYLN-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.64
Rot. Bonds3

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

4-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydrochromen-4-amine (PubChem CID 65422015) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydrochromen-4-amine.

Molecular Properties

Compound Name4-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydrochromen-4-amine
PubChem CID65422015
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydrochromen-4-amine
SMILESCC(C)n1ccc(CC2(N)CCOc3ccccc32)n1
InChIInChI=1S/C16H21N3O/c1-12(2)19-9-7-13(18-19)11-16(17)8-10-20-15-6-4-3-5-14(15)16/h3-7,9,12H,8,10-11,17H2,1-2H3
InChIKeyJFBCSBNUEYZYLN-UHFFFAOYSA-N
XLogP2.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(Propan-2-ylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol
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1-(Propan-2-ylamino)-3-[2-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol
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N-methyl-1-[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
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Frequently Asked Questions

What is the IUPAC name of 4-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydrochromen-4-amine?
The IUPAC name of 4-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydrochromen-4-amine (CID 65422015) is 4-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydrochromen-4-amine.
What is the SMILES notation for 4-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydrochromen-4-amine?
The canonical SMILES for 4-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydrochromen-4-amine is CC(C)n1ccc(CC2(N)CCOc3ccccc32)n1.
What is the InChIKey of 4-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydrochromen-4-amine?
The InChIKey is JFBCSBNUEYZYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)19-9-7-13(18-19)11-16(17)8-10-20-15-6-4-3-5-14(15)16/h3-7,9,12H,8,10-11,17H2,1-2H3.
What are the key properties of 4-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydrochromen-4-amine?
4-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydrochromen-4-amine has a molecular weight of 271.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydrochromen-4-amine is sourced from PubChem (CID 65422015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).