(3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine

C22H25N3O2 — CID 92693113

IUPAC(3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1OC[C@@H](NCc1cccc(-n3nc(C)cc3C)c1)C2
InChIInChI=1S/C22H25N3O2/c1-15-10-16(2)25(24-15)20-8-4-6-17(11-20)13-23-19-12-18-7-5-9-21(26-3)22(18)27-14-19/h4-11,19,23H,12-14H2,1-3H3/t19-/m0/s1
InChIKeyNVVBCGFLTQYGSZ-IBGZPJMESA-N
MW363.46 g/mol
LogP3.59
Rot. Bonds5

About (3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine

(3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine (PubChem CID 92693113) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine
PubChem CID92693113
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1OC[C@@H](NCc1cccc(-n3nc(C)cc3C)c1)C2
InChIInChI=1S/C22H25N3O2/c1-15-10-16(2)25(24-15)20-8-4-6-17(11-20)13-23-19-12-18-7-5-9-21(26-3)22(18)27-14-19/h4-11,19,23H,12-14H2,1-3H3/t19-/m0/s1
InChIKeyNVVBCGFLTQYGSZ-IBGZPJMESA-N
XLogP3.59
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine with MolForge

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Related Compounds

(3R)-8-methoxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-chromen-3-amine
CID 28851098
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CID 45249546
4-methoxy-2-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]phenol
CID 45219852
(3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 31017822
3-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]-1-methylquinolin-2-one
CID 131900980
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CID 86806743
(3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
CID 99778884
8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 45249758
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine
CID 56824753
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4,5,6-trimethylpyrimidin-2-amine
CID 163313873
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide
CID 93072784
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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine (CID 92693113) is (3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine is COc1cccc2c1OC[C@@H](NCc1cccc(-n3nc(C)cc3C)c1)C2.
What is the InChIKey of (3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is NVVBCGFLTQYGSZ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-10-16(2)25(24-15)20-8-4-6-17(11-20)13-23-19-12-18-7-5-9-21(26-3)22(18)27-14-19/h4-11,19,23H,12-14H2,1-3H3/t19-/m0/s1.
What are the key properties of (3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine?
(3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 363.46 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-8-methoxy-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 92693113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).