(4R)-8-chloro-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

C18H24ClN3O2 — CID 94825583

IUPAC(4R)-8-chloro-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1c(CN[C@@H]2CCOc3c(Cl)cccc32)c(C(C)C)nn1C
InChIInChI=1S/C18H24ClN3O2/c1-11(2)16-13(18(23-4)22(3)21-16)10-20-15-8-9-24-17-12(15)6-5-7-14(17)19/h5-7,11,15,20H,8-10H2,1-4H3/t15-/m1/s1
InChIKeyOVMCUADMWHXTNR-OAHLLOKOSA-N
MW349.86 g/mol
LogP3.82
Rot. Bonds5

About (4R)-8-chloro-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

(4R)-8-chloro-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 94825583) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is (4R)-8-chloro-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-8-chloro-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID94825583
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name(4R)-8-chloro-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1c(CN[C@@H]2CCOc3c(Cl)cccc32)c(C(C)C)nn1C
InChIInChI=1S/C18H24ClN3O2/c1-11(2)16-13(18(23-4)22(3)21-16)10-20-15-8-9-24-17-12(15)6-5-7-14(17)19/h5-7,11,15,20H,8-10H2,1-4H3/t15-/m1/s1
InChIKeyOVMCUADMWHXTNR-OAHLLOKOSA-N
XLogP3.82
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-chloro-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-8-chloro-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 94825583) is (4R)-8-chloro-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-8-chloro-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-8-chloro-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is COc1c(CN[C@@H]2CCOc3c(Cl)cccc32)c(C(C)C)nn1C.
What is the InChIKey of (4R)-8-chloro-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OVMCUADMWHXTNR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-11(2)16-13(18(23-4)22(3)21-16)10-20-15-8-9-24-17-12(15)6-5-7-14(17)19/h5-7,11,15,20H,8-10H2,1-4H3/t15-/m1/s1.
What are the key properties of (4R)-8-chloro-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
(4R)-8-chloro-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 349.86 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-chloro-N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 94825583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).