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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Related Compounds

4-(2-Benzhydryloxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 44529538
({(2R*,5S*)-5-[3-(aminomethyl)benzyl]tetrahydrofuran-2-yl}methyl)ethyl[(1-methyl-1H-pyrazol-4-yl)methyl]amine
CID 56906671
N-[(2S*,4R*,6R*)-2-(1-allyl-1H-pyrazol-4-yl)-6-(3,5-difluorophenyl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50949848
N-{(2R*,4R*,6S*)-2-phenyl-6-[3-(1H-pyrazol-1-ylmethyl)phenyl]tetrahydro-2H-pyran-4-yl}acetamide
CID 50954174
N-[(2R,4R,6S)-2-propan-2-yl-6-[4-(pyrazol-1-ylmethyl)phenyl]oxan-4-yl]acetamide
CID 50974702
N-[(1-methylpyrazol-4-yl)methyl]-2-(oxolan-3-yl)-1-phenylethanamine
CID 75388154
N-[(1-ethenylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)-1-phenylmethanamine
CID 121534893
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methanamine
CID 126823763
4-[3-(6,6-Difluoro-1-oxaspiro[2.5]octan-2-yl)phenyl]-1-ethylpyrazole
CID 121281014
4-[3-(6,6-Difluoro-1-oxaspiro[2.5]octan-2-yl)phenyl]-1-propan-2-ylpyrazole
CID 121281105
(1R,2S)-3-fluoro-1-methoxy-1-[4-(1-methylpyrazol-4-yl)phenyl]propan-2-amine
CID 134395506
N-[[2-fluoro-4-[2-(4-methylpyrazol-1-yl)ethoxymethyl]phenyl]methyl]propan-1-amine
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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).