N-[[3-(cyclopentyloxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine

C19H27N3O — CID 84587706

IUPACN-[[3-(cyclopentyloxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCC(NCc1cccc(COC2CCCC2)c1)c1cnn(C)c1
InChIInChI=1S/C19H27N3O/c1-15(18-12-21-22(2)13-18)20-11-16-6-5-7-17(10-16)14-23-19-8-3-4-9-19/h5-7,10,12-13,15,19-20H,3-4,8-9,11,14H2,1-2H3
InChIKeySNPDWHCRRCDKCJ-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.73
Rot. Bonds7

About N-[[3-(cyclopentyloxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine

N-[[3-(cyclopentyloxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 84587706) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is N-[[3-(cyclopentyloxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[3-(cyclopentyloxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID84587706
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC NameN-[[3-(cyclopentyloxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCC(NCc1cccc(COC2CCCC2)c1)c1cnn(C)c1
InChIInChI=1S/C19H27N3O/c1-15(18-12-21-22(2)13-18)20-11-16-6-5-7-17(10-16)14-23-19-8-3-4-9-19/h5-7,10,12-13,15,19-20H,3-4,8-9,11,14H2,1-2H3
InChIKeySNPDWHCRRCDKCJ-UHFFFAOYSA-N
XLogP3.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopentyloxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[[3-(cyclopentyloxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine (CID 84587706) is N-[[3-(cyclopentyloxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[[3-(cyclopentyloxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[[3-(cyclopentyloxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine is CC(NCc1cccc(COC2CCCC2)c1)c1cnn(C)c1.
What is the InChIKey of N-[[3-(cyclopentyloxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is SNPDWHCRRCDKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-15(18-12-21-22(2)13-18)20-11-16-6-5-7-17(10-16)14-23-19-8-3-4-9-19/h5-7,10,12-13,15,19-20H,3-4,8-9,11,14H2,1-2H3.
What are the key properties of N-[[3-(cyclopentyloxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine?
N-[[3-(cyclopentyloxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 313.45 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopentyloxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 84587706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).