7-methoxy-2-(1-propylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine

C16H21N3O2 — CID 103573837

IUPAC7-methoxy-2-(1-propylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCCn1cc(C2CC(N)c3ccc(OC)cc3O2)cn1
InChIInChI=1S/C16H21N3O2/c1-3-6-19-10-11(9-18-19)15-8-14(17)13-5-4-12(20-2)7-16(13)21-15/h4-5,7,9-10,14-15H,3,6,8,17H2,1-2H3
InChIKeyHPXVVMJFZVLORL-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.83
Rot. Bonds4

About 7-methoxy-2-(1-propylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine

7-methoxy-2-(1-propylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 103573837) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 7-methoxy-2-(1-propylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-methoxy-2-(1-propylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID103573837
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name7-methoxy-2-(1-propylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCCn1cc(C2CC(N)c3ccc(OC)cc3O2)cn1
InChIInChI=1S/C16H21N3O2/c1-3-6-19-10-11(9-18-19)15-8-14(17)13-5-4-12(20-2)7-16(13)21-15/h4-5,7,9-10,14-15H,3,6,8,17H2,1-2H3
InChIKeyHPXVVMJFZVLORL-UHFFFAOYSA-N
XLogP2.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(1-propylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-methoxy-2-(1-propylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (CID 103573837) is 7-methoxy-2-(1-propylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-methoxy-2-(1-propylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-methoxy-2-(1-propylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is CCCn1cc(C2CC(N)c3ccc(OC)cc3O2)cn1.
What is the InChIKey of 7-methoxy-2-(1-propylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is HPXVVMJFZVLORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-6-19-10-11(9-18-19)15-8-14(17)13-5-4-12(20-2)7-16(13)21-15/h4-5,7,9-10,14-15H,3,6,8,17H2,1-2H3.
What are the key properties of 7-methoxy-2-(1-propylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
7-methoxy-2-(1-propylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 287.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(1-propylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 103573837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).