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

C15H19N3O — CID 65408459

IUPAC[4-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine
SMILESCn1cc(CC2(CN)CCOc3ccccc32)cn1
InChIInChI=1S/C15H19N3O/c1-18-10-12(9-17-18)8-15(11-16)6-7-19-14-5-3-2-4-13(14)15/h2-5,9-10H,6-8,11,16H2,1H3
InChIKeyMQAXYTAMSJARQX-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.64
Rot. Bonds3

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

[4-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine (PubChem CID 65408459) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [4-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine.

Molecular Properties

Compound Name[4-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine
PubChem CID65408459
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[4-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine
SMILESCn1cc(CC2(CN)CCOc3ccccc32)cn1
InChIInChI=1S/C15H19N3O/c1-18-10-12(9-17-18)8-15(11-16)6-7-19-14-5-3-2-4-13(14)15/h2-5,9-10H,6-8,11,16H2,1H3
InChIKeyMQAXYTAMSJARQX-UHFFFAOYSA-N
XLogP1.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine?
The IUPAC name of [4-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine (CID 65408459) is [4-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine.
What is the SMILES notation for [4-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine?
The canonical SMILES for [4-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine is Cn1cc(CC2(CN)CCOc3ccccc32)cn1.
What is the InChIKey of [4-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine?
The InChIKey is MQAXYTAMSJARQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-10-12(9-17-18)8-15(11-16)6-7-19-14-5-3-2-4-13(14)15/h2-5,9-10H,6-8,11,16H2,1H3.
What are the key properties of [4-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine?
[4-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine has a molecular weight of 257.34 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine is sourced from PubChem (CID 65408459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).