N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

C16H21N3O — CID 43223516

IUPACN-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1nn(C)c(C)c1CNC1CCOc2ccccc21
InChIInChI=1S/C16H21N3O/c1-11-14(12(2)19(3)18-11)10-17-15-8-9-20-16-7-5-4-6-13(15)16/h4-7,15,17H,8-10H2,1-3H3
InChIKeyYCQGFPQASKLABK-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.65
Rot. Bonds3

About N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43223516) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID43223516
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1nn(C)c(C)c1CNC1CCOc2ccccc21
InChIInChI=1S/C16H21N3O/c1-11-14(12(2)19(3)18-11)10-17-15-8-9-20-16-7-5-4-6-13(15)16/h4-7,15,17H,8-10H2,1-3H3
InChIKeyYCQGFPQASKLABK-UHFFFAOYSA-N
XLogP2.65
TPSA39.08 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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 43223516) is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is Cc1nn(C)c(C)c1CNC1CCOc2ccccc21.
What is the InChIKey of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is YCQGFPQASKLABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-14(12(2)19(3)18-11)10-17-15-8-9-20-16-7-5-4-6-13(15)16/h4-7,15,17H,8-10H2,1-3H3.
What are the key properties of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 271.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43223516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).