1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine

C13H15N3O — CID 104768448

IUPAC1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine
SMILESNc1ccn(CC2CCOc3ccccc32)n1
InChIInChI=1S/C13H15N3O/c14-13-5-7-16(15-13)9-10-6-8-17-12-4-2-1-3-11(10)12/h1-5,7,10H,6,8-9H2,(H2,14,15)
InChIKeyAAOLXQUCQTZUTB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.03
Rot. Bonds2

About 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine

1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine (PubChem CID 104768448) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine
PubChem CID104768448
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine
SMILESNc1ccn(CC2CCOc3ccccc32)n1
InChIInChI=1S/C13H15N3O/c14-13-5-7-16(15-13)9-10-6-8-17-12-4-2-1-3-11(10)12/h1-5,7,10H,6,8-9H2,(H2,14,15)
InChIKeyAAOLXQUCQTZUTB-UHFFFAOYSA-N
XLogP2.03
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methyl]propan-2-amine
CID 104771756
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-iodo-1,2,4-triazole
CID 104772475
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylpyrazol-4-amine
CID 104768444
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-2-amine
CID 104770992
1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazole-4-sulfonamide
CID 104772593
[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine
CID 113451461
[2-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methanamine
CID 113451475
methyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-triazole-3-carboxylate
CID 104768768
3-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220803
3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine
CID 104771510

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine (CID 104768448) is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine is Nc1ccn(CC2CCOc3ccccc32)n1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine?
The InChIKey is AAOLXQUCQTZUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-13-5-7-16(15-13)9-10-6-8-17-12-4-2-1-3-11(10)12/h1-5,7,10H,6,8-9H2,(H2,14,15).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine?
1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine has a molecular weight of 229.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 104768448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).