N-methyl-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methanamine

C13H17N3O — CID 81341305

IUPACN-methyl-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methanamine
SMILESCNCc1ccccc1COc1cc(C)[nH]n1
InChIInChI=1S/C13H17N3O/c1-10-7-13(16-15-10)17-9-12-6-4-3-5-11(12)8-14-2/h3-7,14H,8-9H2,1-2H3,(H,15,16)
InChIKeyGWMPIQRBQKCWOL-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.02
Rot. Bonds5

About N-methyl-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methanamine

N-methyl-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methanamine (PubChem CID 81341305) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-methyl-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methanamine
PubChem CID81341305
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-methyl-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methanamine
SMILESCNCc1ccccc1COc1cc(C)[nH]n1
InChIInChI=1S/C13H17N3O/c1-10-7-13(16-15-10)17-9-12-6-4-3-5-11(12)8-14-2/h3-7,14H,8-9H2,1-2H3,(H,15,16)
InChIKeyGWMPIQRBQKCWOL-UHFFFAOYSA-N
XLogP2.02
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methanamine (CID 81341305) is N-methyl-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methanamine is CNCc1ccccc1COc1cc(C)[nH]n1.
What is the InChIKey of N-methyl-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methanamine?
The InChIKey is GWMPIQRBQKCWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-7-13(16-15-10)17-9-12-6-4-3-5-11(12)8-14-2/h3-7,14H,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-methyl-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methanamine?
N-methyl-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methanamine is sourced from PubChem (CID 81341305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).