1-[2-(methoxymethyl)phenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine

C13H17N3O — CID 54861685

IUPAC1-[2-(methoxymethyl)phenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESCOCc1ccccc1CNCc1ccn[nH]1
InChIInChI=1S/C13H17N3O/c1-17-10-12-5-3-2-4-11(12)8-14-9-13-6-7-15-16-13/h2-7,14H,8-10H2,1H3,(H,15,16)
InChIKeyFKVZCLLLJYOTHX-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.85
Rot. Bonds6

About 1-[2-(methoxymethyl)phenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine

1-[2-(methoxymethyl)phenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine (PubChem CID 54861685) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)phenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[2-(methoxymethyl)phenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine
PubChem CID54861685
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[2-(methoxymethyl)phenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESCOCc1ccccc1CNCc1ccn[nH]1
InChIInChI=1S/C13H17N3O/c1-17-10-12-5-3-2-4-11(12)8-14-9-13-6-7-15-16-13/h2-7,14H,8-10H2,1H3,(H,15,16)
InChIKeyFKVZCLLLJYOTHX-UHFFFAOYSA-N
XLogP1.85
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61286252
1-(2-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 43662344
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482
N-[[2-(methoxymethyl)phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 60744303
N-[[2-(methoxymethyl)phenyl]methyl]-1-(2-methylphenyl)methanamine
CID 60744139
1-[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 119110021
1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60743821
N-[[2-(methoxymethyl)phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 60744138
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile
CID 62895390
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
CID 61284885
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60923656
N-[(2-ethoxyphenyl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine
CID 60744247

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)phenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine?
The IUPAC name of 1-[2-(methoxymethyl)phenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine (CID 54861685) is 1-[2-(methoxymethyl)phenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-[2-(methoxymethyl)phenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-[2-(methoxymethyl)phenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine is COCc1ccccc1CNCc1ccn[nH]1.
What is the InChIKey of 1-[2-(methoxymethyl)phenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine?
The InChIKey is FKVZCLLLJYOTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-17-10-12-5-3-2-4-11(12)8-14-9-13-6-7-15-16-13/h2-7,14H,8-10H2,1H3,(H,15,16).
What are the key properties of 1-[2-(methoxymethyl)phenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine?
1-[2-(methoxymethyl)phenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine has a molecular weight of 231.30 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)phenyl]-N-(1H-pyrazol-5-ylmethyl)methanamine is sourced from PubChem (CID 54861685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).