1-[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]-N-methylmethanamine

C13H17N3O — CID 79484904

IUPAC1-[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]-N-methylmethanamine
SMILESCCOc1cccc(-c2[nH]ncc2CNC)c1
InChIInChI=1S/C13H17N3O/c1-3-17-12-6-4-5-10(7-12)13-11(8-14-2)9-15-16-13/h4-7,9,14H,3,8H2,1-2H3,(H,15,16)
InChIKeyYBHIZCUSHFJUFN-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.19
Rot. Bonds5

About 1-[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]-N-methylmethanamine

1-[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]-N-methylmethanamine (PubChem CID 79484904) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]-N-methylmethanamine
PubChem CID79484904
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]-N-methylmethanamine
SMILESCCOc1cccc(-c2[nH]ncc2CNC)c1
InChIInChI=1S/C13H17N3O/c1-3-17-12-6-4-5-10(7-12)13-11(8-14-2)9-15-16-13/h4-7,9,14H,3,8H2,1-2H3,(H,15,16)
InChIKeyYBHIZCUSHFJUFN-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79484999
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 47271559
1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 61280554
4-(3-ethoxyphenyl)-1H-pyridazin-6-one
CID 106519861
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 79487408
N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 23005780
1-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine
CID 79485630
1-[5-(9H-fluoren-2-yl)-1H-pyrazol-4-yl]-N-methylmethanamine
CID 79490187
N-methyl-1-(5-pyridin-2-yl-1H-pyrazol-4-yl)methanamine
CID 79485075
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
CID 167956831
N-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethanamine
CID 79484566
4-ethyl-5-(3-fluorophenyl)-1H-pyrazole
CID 143699505

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]-N-methylmethanamine (CID 79484904) is 1-[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]-N-methylmethanamine is CCOc1cccc(-c2[nH]ncc2CNC)c1.
What is the InChIKey of 1-[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is YBHIZCUSHFJUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-17-12-6-4-5-10(7-12)13-11(8-14-2)9-15-16-13/h4-7,9,14H,3,8H2,1-2H3,(H,15,16).
What are the key properties of 1-[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]-N-methylmethanamine?
1-[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 231.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 79484904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).