4-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrazol-5-amine

C13H15N3O — CID 117330819

IUPAC4-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cccc3c2OCCC3)c1N
InChIInChI=1S/C13H15N3O/c1-16-13(14)11(8-15-16)10-6-2-4-9-5-3-7-17-12(9)10/h2,4,6,8H,3,5,7,14H2,1H3
InChIKeyNKMGXDPCNKHIHI-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.99
Rot. Bonds1

About 4-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrazol-5-amine

4-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrazol-5-amine (PubChem CID 117330819) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrazol-5-amine
PubChem CID117330819
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cccc3c2OCCC3)c1N
InChIInChI=1S/C13H15N3O/c1-16-13(14)11(8-15-16)10-6-2-4-9-5-3-7-17-12(9)10/h2,4,6,8H,3,5,7,14H2,1H3
InChIKeyNKMGXDPCNKHIHI-UHFFFAOYSA-N
XLogP1.99
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrazol-5-amine (CID 117330819) is 4-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrazol-5-amine is Cn1ncc(-c2cccc3c2OCCC3)c1N.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrazol-5-amine?
The InChIKey is NKMGXDPCNKHIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16-13(14)11(8-15-16)10-6-2-4-9-5-3-7-17-12(9)10/h2,4,6,8H,3,5,7,14H2,1H3.
What are the key properties of 4-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrazol-5-amine?
4-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrazol-5-amine has a molecular weight of 229.28 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117330819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).