N-[[1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrrolidin-3-yl]methyl]propan-1-amine

C16H30N4 — CID 114537124

IUPACN-[[1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(CCCn2nc(C)cc2C)C1
InChIInChI=1S/C16H30N4/c1-4-7-17-12-16-6-10-19(13-16)8-5-9-20-15(3)11-14(2)18-20/h11,16-17H,4-10,12-13H2,1-3H3
InChIKeyXUAYJEIRJQEOSG-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.21
Rot. Bonds8

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

N-[[1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrrolidin-3-yl]methyl]propan-1-amine (PubChem CID 114537124) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrrolidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrrolidin-3-yl]methyl]propan-1-amine
PubChem CID114537124
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-[[1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(CCCn2nc(C)cc2C)C1
InChIInChI=1S/C16H30N4/c1-4-7-17-12-16-6-10-19(13-16)8-5-9-20-15(3)11-14(2)18-20/h11,16-17H,4-10,12-13H2,1-3H3
InChIKeyXUAYJEIRJQEOSG-UHFFFAOYSA-N
XLogP2.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536339
N-(cyclohex-3-en-1-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 113218918
(3R,4S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propylpyrrolidin-3-amine
CID 86283336
N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 82873131
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111783830
N-[[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512310
N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine
CID 63528370
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
CID 115573303
N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine
CID 62591680
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894833
2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111278894
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrrolidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrrolidin-3-yl]methyl]propan-1-amine (CID 114537124) is N-[[1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrrolidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrrolidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrrolidin-3-yl]methyl]propan-1-amine is CCCNCC1CCN(CCCn2nc(C)cc2C)C1.
What is the InChIKey of N-[[1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrrolidin-3-yl]methyl]propan-1-amine?
The InChIKey is XUAYJEIRJQEOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-7-17-12-16-6-10-19(13-16)8-5-9-20-15(3)11-14(2)18-20/h11,16-17H,4-10,12-13H2,1-3H3.
What are the key properties of N-[[1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrrolidin-3-yl]methyl]propan-1-amine?
N-[[1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrrolidin-3-yl]methyl]propan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrrolidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 114537124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).