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

C17H23N3O — CID 43786831

IUPACN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)c1nn(C)cc1CNC1CCOc2ccccc21
InChIInChI=1S/C17H23N3O/c1-12(2)17-13(11-20(3)19-17)10-18-15-8-9-21-16-7-5-4-6-14(15)16/h4-7,11-12,15,18H,8-10H2,1-3H3
InChIKeyMUKUBAGDESCKJT-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.16
Rot. Bonds4

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

N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43786831) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID43786831
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)c1nn(C)cc1CNC1CCOc2ccccc21
InChIInChI=1S/C17H23N3O/c1-12(2)17-13(11-20(3)19-17)10-18-15-8-9-21-16-7-5-4-6-14(15)16/h4-7,11-12,15,18H,8-10H2,1-3H3
InChIKeyMUKUBAGDESCKJT-UHFFFAOYSA-N
XLogP3.16
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 43786831) is N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is CC(C)c1nn(C)cc1CNC1CCOc2ccccc21.
What is the InChIKey of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is MUKUBAGDESCKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(2)17-13(11-20(3)19-17)10-18-15-8-9-21-16-7-5-4-6-14(15)16/h4-7,11-12,15,18H,8-10H2,1-3H3.
What are the key properties of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43786831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).