(3R)-8-methoxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-chromen-3-amine

C21H23N3O3 — CID 28851098

IUPAC(3R)-8-methoxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1ccccc1-n1cc(CN[C@H]2COc3c(cccc3OC)C2)cn1
InChIInChI=1S/C21H23N3O3/c1-25-19-8-4-3-7-18(19)24-13-15(12-23-24)11-22-17-10-16-6-5-9-20(26-2)21(16)27-14-17/h3-9,12-13,17,22H,10-11,14H2,1-2H3/t17-/m1/s1
InChIKeyOFNGZEPRKMVUHB-QGZVFWFLSA-N
MW365.43 g/mol
LogP2.98
Rot. Bonds6

About (3R)-8-methoxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-chromen-3-amine

(3R)-8-methoxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-chromen-3-amine (PubChem CID 28851098) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (3R)-8-methoxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3R)-8-methoxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-chromen-3-amine
PubChem CID28851098
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(3R)-8-methoxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1ccccc1-n1cc(CN[C@H]2COc3c(cccc3OC)C2)cn1
InChIInChI=1S/C21H23N3O3/c1-25-19-8-4-3-7-18(19)24-13-15(12-23-24)11-22-17-10-16-6-5-9-20(26-2)21(16)27-14-17/h3-9,12-13,17,22H,10-11,14H2,1-2H3/t17-/m1/s1
InChIKeyOFNGZEPRKMVUHB-QGZVFWFLSA-N
XLogP2.98
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-8-methoxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3R)-8-methoxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-chromen-3-amine (CID 28851098) is (3R)-8-methoxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3R)-8-methoxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3R)-8-methoxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-chromen-3-amine is COc1ccccc1-n1cc(CN[C@H]2COc3c(cccc3OC)C2)cn1.
What is the InChIKey of (3R)-8-methoxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is OFNGZEPRKMVUHB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-25-19-8-4-3-7-18(19)24-13-15(12-23-24)11-22-17-10-16-6-5-9-20(26-2)21(16)27-14-17/h3-9,12-13,17,22H,10-11,14H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-8-methoxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-chromen-3-amine?
(3R)-8-methoxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 365.43 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-methoxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 28851098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).