N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine

C17H31N3 — CID 82697542

IUPACN-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1c(CC)nn(CC2CCCC2)c1CC
InChIInChI=1S/C17H31N3/c1-4-11-18-12-15-16(5-2)19-20(17(15)6-3)13-14-9-7-8-10-14/h14,18H,4-13H2,1-3H3
InChIKeyQFQWFSZFYRDDAZ-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.70
Rot. Bonds8

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

N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine (PubChem CID 82697542) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
PubChem CID82697542
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1c(CC)nn(CC2CCCC2)c1CC
InChIInChI=1S/C17H31N3/c1-4-11-18-12-15-16(5-2)19-20(17(15)6-3)13-14-9-7-8-10-14/h14,18H,4-13H2,1-3H3
InChIKeyQFQWFSZFYRDDAZ-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine (CID 82697542) is N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine is CCCNCc1c(CC)nn(CC2CCCC2)c1CC.
What is the InChIKey of N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is QFQWFSZFYRDDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-11-18-12-15-16(5-2)19-20(17(15)6-3)13-14-9-7-8-10-14/h14,18H,4-13H2,1-3H3.
What are the key properties of N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine?
N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 82697542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).