N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine

C16H30N4O — CID 115600656

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
SMILESCOc1c(CNCCCN2CCC(C)CC2)c(C)nn1C
InChIInChI=1S/C16H30N4O/c1-13-6-10-20(11-7-13)9-5-8-17-12-15-14(2)18-19(3)16(15)21-4/h13,17H,5-12H2,1-4H3
InChIKeyWXFLTRRVHAVYBO-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.95
Rot. Bonds7

About N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine (PubChem CID 115600656) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
PubChem CID115600656
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
SMILESCOc1c(CNCCCN2CCC(C)CC2)c(C)nn1C
InChIInChI=1S/C16H30N4O/c1-13-6-10-20(11-7-13)9-5-8-17-12-15-14(2)18-19(3)16(15)21-4/h13,17H,5-12H2,1-4H3
InChIKeyWXFLTRRVHAVYBO-UHFFFAOYSA-N
XLogP1.95
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine
CID 115600691
2-(4-methylpiperidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 61239722
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115614969
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 115600667
2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115600579
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 51105113
3-(4-methylpiperazin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 28656946
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 104705178
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
CID 132970502
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 64539929
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylsulfanylbutan-1-amine
CID 115604266
N-[(2,6-difluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679814

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine (CID 115600656) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine is COc1c(CNCCCN2CCC(C)CC2)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is WXFLTRRVHAVYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-13-6-10-20(11-7-13)9-5-8-17-12-15-14(2)18-19(3)16(15)21-4/h13,17H,5-12H2,1-4H3.
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 115600656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).