N-[3,4-dihydro-2H-pyran-5-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine

C14H23N3O — CID 105179186

IUPACN-[3,4-dihydro-2H-pyran-5-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(C1=COCCC1)c1cnn(C)c1C
InChIInChI=1S/C14H23N3O/c1-4-7-15-14(12-6-5-8-18-10-12)13-9-16-17(3)11(13)2/h9-10,14-15H,4-8H2,1-3H3
InChIKeySFLSTBZFEOFEKI-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.46
Rot. Bonds5

About N-[3,4-dihydro-2H-pyran-5-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine

N-[3,4-dihydro-2H-pyran-5-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 105179186) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-5-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-5-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID105179186
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[3,4-dihydro-2H-pyran-5-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(C1=COCCC1)c1cnn(C)c1C
InChIInChI=1S/C14H23N3O/c1-4-7-15-14(12-6-5-8-18-10-12)13-9-16-17(3)11(13)2/h9-10,14-15H,4-8H2,1-3H3
InChIKeySFLSTBZFEOFEKI-UHFFFAOYSA-N
XLogP2.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105148542
N-[3,4-dihydro-2H-pyran-5-yl-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 105033405
N-[(2,5-dibromothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 114022189
N-[3,4-dihydro-2H-pyran-5-yl(quinolin-8-yl)methyl]propan-1-amine
CID 105179292
N-[3,4-dihydro-2H-pyran-5-yl-(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 113370548
N-[(1,5-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 79584851
N-[3,4-dihydro-2H-pyran-5-yl-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 105033007
N-[(4-bromo-3-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 105033088
1-(1,5-dimethylpyrazol-4-yl)-N-propylprop-2-en-1-amine
CID 105161099
1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine
CID 116660937
N-[3,4-dihydro-2H-pyran-5-yl-(2,6-dimethoxyphenyl)methyl]propan-1-amine
CID 105033460
N-[(3,4-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105145523

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine (CID 105179186) is N-[3,4-dihydro-2H-pyran-5-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-5-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-5-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine is CCCNC(C1=COCCC1)c1cnn(C)c1C.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-5-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is SFLSTBZFEOFEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-7-15-14(12-6-5-8-18-10-12)13-9-16-17(3)11(13)2/h9-10,14-15H,4-8H2,1-3H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-5-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine?
N-[3,4-dihydro-2H-pyran-5-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-pyran-5-yl-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105179186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).