1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine

C17H26N4 — CID 79109471

IUPAC1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccn(Cc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C17H26N4/c1-3-17(18-2)14-8-10-20(12-14)13-15-9-11-21(19-15)16-6-4-5-7-16/h8-12,16-18H,3-7,13H2,1-2H3
InChIKeyRUFVNMXMMZSPPH-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.52
Rot. Bonds6

About 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine

1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine (PubChem CID 79109471) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
PubChem CID79109471
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccn(Cc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C17H26N4/c1-3-17(18-2)14-8-10-20(12-14)13-15-9-11-21(19-15)16-6-4-5-7-16/h8-12,16-18H,3-7,13H2,1-2H3
InChIKeyRUFVNMXMMZSPPH-UHFFFAOYSA-N
XLogP3.52
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79109333
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrol-3-yl]ethanol
CID 79106230
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66405542
1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
CID 79105422
2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777224
1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-3-carbaldehyde
CID 66407704
2-(1-cyclopentylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylethanamine
CID 64785855
1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721334
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
CID 116622240
3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516696
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethylhexan-2-amine
CID 104993857

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine (CID 79109471) is 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine is CCC(NC)c1ccn(Cc2ccn(C3CCCC3)n2)c1.
What is the InChIKey of 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine?
The InChIKey is RUFVNMXMMZSPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-3-17(18-2)14-8-10-20(12-14)13-15-9-11-21(19-15)16-6-4-5-7-16/h8-12,16-18H,3-7,13H2,1-2H3.
What are the key properties of 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine?
1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 79109471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).