N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[2-(4-fluorophenoxy)ethyl]-5-methyltriazol-4-amine

C20H25FN6O — CID 166384545

IUPACN-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[2-(4-fluorophenoxy)ethyl]-5-methyltriazol-4-amine
SMILESCc1c(NCc2ccnn2C2CCCC2)nnn1CCOc1ccc(F)cc1
InChIInChI=1S/C20H25FN6O/c1-15-20(22-14-18-10-11-23-27(18)17-4-2-3-5-17)24-25-26(15)12-13-28-19-8-6-16(21)7-9-19/h6-11,17,22H,2-5,12-14H2,1H3
InChIKeyKLKLGRBKPIVXFR-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.73
Rot. Bonds8

About N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[2-(4-fluorophenoxy)ethyl]-5-methyltriazol-4-amine

N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[2-(4-fluorophenoxy)ethyl]-5-methyltriazol-4-amine (PubChem CID 166384545) has the molecular formula C20H25FN6O and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[2-(4-fluorophenoxy)ethyl]-5-methyltriazol-4-amine.

Molecular Properties

Compound NameN-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[2-(4-fluorophenoxy)ethyl]-5-methyltriazol-4-amine
PubChem CID166384545
Molecular FormulaC20H25FN6O
Molecular Weight384.46 g/mol
Exact Mass384.21
IUPAC NameN-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[2-(4-fluorophenoxy)ethyl]-5-methyltriazol-4-amine
SMILESCc1c(NCc2ccnn2C2CCCC2)nnn1CCOc1ccc(F)cc1
InChIInChI=1S/C20H25FN6O/c1-15-20(22-14-18-10-11-23-27(18)17-4-2-3-5-17)24-25-26(15)12-13-28-19-8-6-16(21)7-9-19/h6-11,17,22H,2-5,12-14H2,1H3
InChIKeyKLKLGRBKPIVXFR-UHFFFAOYSA-N
XLogP3.73
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[2-(4-fluorophenoxy)ethyl]-5-methyltriazol-4-amine?
The IUPAC name of N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[2-(4-fluorophenoxy)ethyl]-5-methyltriazol-4-amine (CID 166384545) is N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[2-(4-fluorophenoxy)ethyl]-5-methyltriazol-4-amine.
What is the SMILES notation for N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[2-(4-fluorophenoxy)ethyl]-5-methyltriazol-4-amine?
The canonical SMILES for N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[2-(4-fluorophenoxy)ethyl]-5-methyltriazol-4-amine is Cc1c(NCc2ccnn2C2CCCC2)nnn1CCOc1ccc(F)cc1.
What is the InChIKey of N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[2-(4-fluorophenoxy)ethyl]-5-methyltriazol-4-amine?
The InChIKey is KLKLGRBKPIVXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6O/c1-15-20(22-14-18-10-11-23-27(18)17-4-2-3-5-17)24-25-26(15)12-13-28-19-8-6-16(21)7-9-19/h6-11,17,22H,2-5,12-14H2,1H3.
What are the key properties of N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[2-(4-fluorophenoxy)ethyl]-5-methyltriazol-4-amine?
N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[2-(4-fluorophenoxy)ethyl]-5-methyltriazol-4-amine has a molecular weight of 384.46 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[2-(4-fluorophenoxy)ethyl]-5-methyltriazol-4-amine is sourced from PubChem (CID 166384545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).