N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine

C16H25N5 — CID 64777182

IUPACN-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccn(Cc2ccn(C3CCCC3)n2)n1
InChIInChI=1S/C16H25N5/c1-2-9-17-12-14-7-10-20(18-14)13-15-8-11-21(19-15)16-5-3-4-6-16/h7-8,10-11,16-17H,2-6,9,12-13H2,1H3
InChIKeyGVRBJSADIJWXKD-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.74
Rot. Bonds7

About N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine

N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine (PubChem CID 64777182) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine
PubChem CID64777182
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccn(Cc2ccn(C3CCCC3)n2)n1
InChIInChI=1S/C16H25N5/c1-2-9-17-12-14-7-10-20(18-14)13-15-8-11-21(19-15)16-5-3-4-6-16/h7-8,10-11,16-17H,2-6,9,12-13H2,1H3
InChIKeyGVRBJSADIJWXKD-UHFFFAOYSA-N
XLogP2.74
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.74
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-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]ethanamine
CID 64776990
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66405542
N-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 64800285
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 103816376
N-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81017300
ethyl 3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate
CID 64800694
5-(1-cyclopentylpyrazol-3-yl)-4-methyl-N-propylpent-3-en-1-amine
CID 79599253
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103461395
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-prop-2-enylsulfanylethanamine
CID 106428243
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)methanamine
CID 64801405
1-(1-cyclopentylpyrazol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 103816375

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine (CID 64777182) is N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine is CCCNCc1ccn(Cc2ccn(C3CCCC3)n2)n1.
What is the InChIKey of N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine?
The InChIKey is GVRBJSADIJWXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-2-9-17-12-14-7-10-20(18-14)13-15-8-11-21(19-15)16-5-3-4-6-16/h7-8,10-11,16-17H,2-6,9,12-13H2,1H3.
What are the key properties of N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine?
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 64777182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).