N-[[2-methoxy-5-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentanamine

C16H21N3O — CID 39841026

IUPACN-[[2-methoxy-5-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentanamine
SMILESCOc1ccc(-c2ccn[nH]2)cc1CNC1CCCC1
InChIInChI=1S/C16H21N3O/c1-20-16-7-6-12(15-8-9-18-19-15)10-13(16)11-17-14-4-2-3-5-14/h6-10,14,17H,2-5,11H2,1H3,(H,18,19)
InChIKeyQKKZLAMESJJAOR-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.12
Rot. Bonds5

About N-[[2-methoxy-5-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentanamine

N-[[2-methoxy-5-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentanamine (PubChem CID 39841026) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[2-methoxy-5-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[2-methoxy-5-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentanamine
PubChem CID39841026
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[[2-methoxy-5-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentanamine
SMILESCOc1ccc(-c2ccn[nH]2)cc1CNC1CCCC1
InChIInChI=1S/C16H21N3O/c1-20-16-7-6-12(15-8-9-18-19-15)10-13(16)11-17-14-4-2-3-5-14/h6-10,14,17H,2-5,11H2,1H3,(H,18,19)
InChIKeyQKKZLAMESJJAOR-UHFFFAOYSA-N
XLogP3.12
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-5-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentanamine?
The IUPAC name of N-[[2-methoxy-5-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentanamine (CID 39841026) is N-[[2-methoxy-5-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[2-methoxy-5-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentanamine?
The canonical SMILES for N-[[2-methoxy-5-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentanamine is COc1ccc(-c2ccn[nH]2)cc1CNC1CCCC1.
What is the InChIKey of N-[[2-methoxy-5-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentanamine?
The InChIKey is QKKZLAMESJJAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-20-16-7-6-12(15-8-9-18-19-15)10-13(16)11-17-14-4-2-3-5-14/h6-10,14,17H,2-5,11H2,1H3,(H,18,19).
What are the key properties of N-[[2-methoxy-5-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentanamine?
N-[[2-methoxy-5-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentanamine has a molecular weight of 271.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-5-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentanamine is sourced from PubChem (CID 39841026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).