(3S)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-3-amine

C17H23N3O — CID 92560394

IUPAC(3S)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
SMILESCCCn1ncc(CN[C@@H]2COc3ccccc3C2)c1C
InChIInChI=1S/C17H23N3O/c1-3-8-20-13(2)15(11-19-20)10-18-16-9-14-6-4-5-7-17(14)21-12-16/h4-7,11,16,18H,3,8-10,12H2,1-2H3/t16-/m0/s1
InChIKeyLWQPRLNPLBTVFU-INIZCTEOSA-N
MW285.39 g/mol
LogP2.69
Rot. Bonds5

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

(3S)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-3-amine (PubChem CID 92560394) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (3S)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3S)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
PubChem CID92560394
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(3S)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
SMILESCCCn1ncc(CN[C@@H]2COc3ccccc3C2)c1C
InChIInChI=1S/C17H23N3O/c1-3-8-20-13(2)15(11-19-20)10-18-16-9-14-6-4-5-7-17(14)21-12-16/h4-7,11,16,18H,3,8-10,12H2,1-2H3/t16-/m0/s1
InChIKeyLWQPRLNPLBTVFU-INIZCTEOSA-N
XLogP2.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 56710373
(3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97279541
(3R)-N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 25308320
N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 45221354
(3R)-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 29255868
N-(2-methylbutyl)-3,4-dihydro-2H-chromen-3-amine
CID 115887352
N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 45244633
N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 45222672
(3R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 29257290
N-fluoro-3,4-dihydro-2H-chromen-3-amine
CID 141437976
2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]ethanol
CID 155711300
N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide
CID 53006074

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3S)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-3-amine (CID 92560394) is (3S)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3S)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3S)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-3-amine is CCCn1ncc(CN[C@@H]2COc3ccccc3C2)c1C.
What is the InChIKey of (3S)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is LWQPRLNPLBTVFU-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-8-20-13(2)15(11-19-20)10-18-16-9-14-6-4-5-7-17(14)21-12-16/h4-7,11,16,18H,3,8-10,12H2,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-3-amine?
(3S)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 285.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 92560394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).