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

C19H26N4O2 — CID 51104762

IUPACN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1nn(C)c(N2CCOCC2)c1CNC1CCOc2ccccc21
InChIInChI=1S/C19H26N4O2/c1-14-16(19(22(2)21-14)23-8-11-24-12-9-23)13-20-17-7-10-25-18-6-4-3-5-15(17)18/h3-6,17,20H,7-13H2,1-2H3
InChIKeyOTNMEZZGSBBJHU-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.18
Rot. Bonds4

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

N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 51104762) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID51104762
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1nn(C)c(N2CCOCC2)c1CNC1CCOc2ccccc21
InChIInChI=1S/C19H26N4O2/c1-14-16(19(22(2)21-14)23-8-11-24-12-9-23)13-20-17-7-10-25-18-6-4-3-5-15(17)18/h3-6,17,20H,7-13H2,1-2H3
InChIKeyOTNMEZZGSBBJHU-UHFFFAOYSA-N
XLogP2.18
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-dimethyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 16026588
3-{3,5-Dimethyl-1-[6-(morpholin-4-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}-N-[(2-ethoxyphenyl)methyl]propanamide
CID 16027080
2-(1-ethyl-3-methyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 16026626
4-[5-Morpholin-4-yl-3-(4-phenoxyphenyl)pyrazol-1-yl]aniline
CID 23656966
4-Morpholineethanamine, N-(6-(2-methoxyphenyl)-4-methyl-3-pyridazinyl)-, dihydrochloride
CID 6410839
6-(2-methoxyphenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyridazin-3-amine
CID 6410840
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43223516
2-[4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 47611252
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)methanamine
CID 51104675
N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 51104760
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 51104761
4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51104763

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 51104762) is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is Cc1nn(C)c(N2CCOCC2)c1CNC1CCOc2ccccc21.
What is the InChIKey of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OTNMEZZGSBBJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-16(19(22(2)21-14)23-8-11-24-12-9-23)13-20-17-7-10-25-18-6-4-3-5-15(17)18/h3-6,17,20H,7-13H2,1-2H3.
What are the key properties of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 342.44 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 51104762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).