N-[[1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine

C13H24N4 — CID 62512276

IUPACN-[[1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(C(C)Cn2cccn2)C1
InChIInChI=1S/C13H24N4/c1-3-14-9-13-5-8-16(11-13)12(2)10-17-7-4-6-15-17/h4,6-7,12-14H,3,5,8-11H2,1-2H3
InChIKeyOHRTVIWSCLKPKW-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.20
Rot. Bonds6

About N-[[1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine

N-[[1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 62512276) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[[1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID62512276
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[[1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(C(C)Cn2cccn2)C1
InChIInChI=1S/C13H24N4/c1-3-14-9-13-5-8-16(11-13)12(2)10-17-7-4-6-15-17/h4,6-7,12-14H,3,5,8-11H2,1-2H3
InChIKeyOHRTVIWSCLKPKW-UHFFFAOYSA-N
XLogP1.20
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[1-(6-methylheptan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 62511464
N-[[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 62513073
N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 63292127
N-[[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62511796
N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine
CID 62512455
1-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 98798236
1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 71893143
N-[[1-(1-thiophen-2-ylbutyl)pyrrolidin-3-yl]methyl]ethanamine
CID 62511490
N-methyl-1-(1-pentan-2-ylpyrrolidin-3-yl)methanamine
CID 62511893
[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanamine
CID 61482680
N-[[1-(2-phenylpropyl)pyrrolidin-3-yl]methyl]ethanamine
CID 113430223
N-methyl-8-(1-pyrazol-1-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739349

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine (CID 62512276) is N-[[1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine is CCNCC1CCN(C(C)Cn2cccn2)C1.
What is the InChIKey of N-[[1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is OHRTVIWSCLKPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-14-9-13-5-8-16(11-13)12(2)10-17-7-4-6-15-17/h4,6-7,12-14H,3,5,8-11H2,1-2H3.
What are the key properties of N-[[1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine?
N-[[1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-pyrazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 62512276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).