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

C15H28N4O2 — CID 103535947

IUPACN-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1c(C)nn(C)c1N1CC(OC)C(OC)C1
InChIInChI=1S/C15H28N4O2/c1-6-7-16-8-12-11(2)17-18(3)15(12)19-9-13(20-4)14(10-19)21-5/h13-14,16H,6-10H2,1-5H3
InChIKeyBBCAQPDQIRQHMZ-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.08
Rot. Bonds7

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

N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine (PubChem CID 103535947) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
PubChem CID103535947
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC NameN-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1c(C)nn(C)c1N1CC(OC)C(OC)C1
InChIInChI=1S/C15H28N4O2/c1-6-7-16-8-12-11(2)17-18(3)15(12)19-9-13(20-4)14(10-19)21-5/h13-14,16H,6-10H2,1-5H3
InChIKeyBBCAQPDQIRQHMZ-UHFFFAOYSA-N
XLogP1.08
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 115560687
N-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine
CID 43280236
1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-3-methylpiperidin-4-ol
CID 114679409
1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-4-methylpiperidin-3-ol
CID 102961085
N-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 104959480
N-[[5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63060693
2-[1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-3-yl]ethanol
CID 107228099
N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 104959482
N-[[5-(azocan-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63060889
N-[[5-(2,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 62331818
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 55134728
[1-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]methanol
CID 112626629

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine (CID 103535947) is N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine is CCCNCc1c(C)nn(C)c1N1CC(OC)C(OC)C1.
What is the InChIKey of N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is BBCAQPDQIRQHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-6-7-16-8-12-11(2)17-18(3)15(12)19-9-13(20-4)14(10-19)21-5/h13-14,16H,6-10H2,1-5H3.
What are the key properties of N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine?
N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 296.42 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 103535947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).