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

C17H22ClN3O — CID 56796543

IUPACN-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)c1nn(C)c(Cl)c1CNC1CCOc2ccccc21
InChIInChI=1S/C17H22ClN3O/c1-11(2)16-13(17(18)21(3)20-16)10-19-14-8-9-22-15-7-5-4-6-12(14)15/h4-7,11,14,19H,8-10H2,1-3H3
InChIKeyLHRPRCYVPGYTGI-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.81
Rot. Bonds4

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

N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 56796543) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID56796543
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC NameN-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)c1nn(C)c(Cl)c1CNC1CCOc2ccccc21
InChIInChI=1S/C17H22ClN3O/c1-11(2)16-13(17(18)21(3)20-16)10-19-14-8-9-22-15-7-5-4-6-12(14)15/h4-7,11,14,19H,8-10H2,1-3H3
InChIKeyLHRPRCYVPGYTGI-UHFFFAOYSA-N
XLogP3.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 17558506
US11576897, Example 30
CID 56600544
US11576897, Example 34
CID 56600547
US11576897, Example 37
CID 56600549
US11576897, Example 295
CID 66664957
US11576897, Example 293
CID 66665530
US10183913, Example 330
CID 66665535
US11576897, Example 263
CID 89542239
US11576897, Example 301
CID 135230559
US10183913, Example 405
CID 138375378
N-[(4-chlorophenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706783
US10183913, Example 148
CID 56600959

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 56796543) is N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is CC(C)c1nn(C)c(Cl)c1CNC1CCOc2ccccc21.
What is the InChIKey of N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is LHRPRCYVPGYTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-11(2)16-13(17(18)21(3)20-16)10-19-14-8-9-22-15-7-5-4-6-12(14)15/h4-7,11,14,19H,8-10H2,1-3H3.
What are the key properties of N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 319.84 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 56796543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).