1-[4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]-N-methylmethanamine

C17H23N3O — CID 64801364

IUPAC1-[4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2ccn(C3CCCC3)n2)cc1
InChIInChI=1S/C17H23N3O/c1-18-12-14-6-8-17(9-7-14)21-13-15-10-11-20(19-15)16-4-2-3-5-16/h6-11,16,18H,2-5,12-13H2,1H3
InChIKeyRXXHGFPJRPUQGG-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.30
Rot. Bonds6

About 1-[4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]-N-methylmethanamine

1-[4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 64801364) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID64801364
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2ccn(C3CCCC3)n2)cc1
InChIInChI=1S/C17H23N3O/c1-18-12-14-6-8-17(9-7-14)21-13-15-10-11-20(19-15)16-4-2-3-5-16/h6-11,16,18H,2-5,12-13H2,1H3
InChIKeyRXXHGFPJRPUQGG-UHFFFAOYSA-N
XLogP3.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-propylpiperidin-4-amine
CID 16190345
3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazole
CID 11242617
5-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1-methylpyrazole
CID 10083742
5-(4-Butoxy-phenyl)-1-methyl-1H-pyrazole
CID 11195591
1-[1-(2-methoxyethyl)piperidin-3-yl]-N-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}methanamine
CID 16191059
3-methoxy-1-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidine
CID 16191202
2-{1-(4-ethoxybenzyl)-4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-piperazinyl}ethanol
CID 16192019
1-[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]-N-(tetrahydro-2-furanylmethyl)methanamine
CID 16192021
2-{1-(4-ethoxybenzyl)-4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-piperazinyl}ethanol
CID 16192129
3-(4-Butoxy-phenyl)-1-methyl-2H-pyrazol-1-ium
CID 44366980
1-[3-[4-(2-Methylpyrazol-3-yl)phenoxy]propyl]piperidine
CID 56661468
(2S)-1-(4-methylpyrazol-1-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 95289236

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]-N-methylmethanamine (CID 64801364) is 1-[4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]-N-methylmethanamine is CNCc1ccc(OCc2ccn(C3CCCC3)n2)cc1.
What is the InChIKey of 1-[4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is RXXHGFPJRPUQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-18-12-14-6-8-17(9-7-14)21-13-15-10-11-20(19-15)16-4-2-3-5-16/h6-11,16,18H,2-5,12-13H2,1H3.
What are the key properties of 1-[4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]-N-methylmethanamine?
1-[4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-cyclopentylpyrazol-3-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 64801364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).