4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine

C19H28N4O — CID 51104764

IUPAC4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1nn(C)c(N(C)C)c1CNC1CCOc2ccccc21
InChIInChI=1S/C19H28N4O/c1-13(2)18-15(19(22(3)4)23(5)21-18)12-20-16-10-11-24-17-9-7-6-8-14(16)17/h6-9,13,16,20H,10-12H2,1-5H3
InChIKeyHUZCRDJLRYMFDJ-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.22
Rot. Bonds5

About 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine

4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine (PubChem CID 51104764) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine
PubChem CID51104764
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1nn(C)c(N(C)C)c1CNC1CCOc2ccccc21
InChIInChI=1S/C19H28N4O/c1-13(2)18-15(19(22(3)4)23(5)21-18)12-20-16-10-11-24-17-9-7-6-8-14(16)17/h6-9,13,16,20H,10-12H2,1-5H3
InChIKeyHUZCRDJLRYMFDJ-UHFFFAOYSA-N
XLogP3.22
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine with MolForge

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Related Compounds

N,N,1,3-tetramethyl-4-[[[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]methyl]pyrazol-5-amine
CID 94823238
(5R)-5-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 95294039
N-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221295
(4R)-8-chloro-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 94825583
4-[[[(4R)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 95149124
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913047
4-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51105075
(5R)-7-fluoro-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 52536850
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221297
N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43223509
N-(2-cyclopropylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115713897
N-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 106263406

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine?
The IUPAC name of 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine (CID 51104764) is 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine is CC(C)c1nn(C)c(N(C)C)c1CNC1CCOc2ccccc21.
What is the InChIKey of 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine?
The InChIKey is HUZCRDJLRYMFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-13(2)18-15(19(22(3)4)23(5)21-18)12-20-16-10-11-24-17-9-7-6-8-14(16)17/h6-9,13,16,20H,10-12H2,1-5H3.
What are the key properties of 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine?
4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine has a molecular weight of 328.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 51104764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).