1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine

C14H19N3O — CID 63977212

IUPAC1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
SMILESCCn1nccc1C(NC)c1ccccc1OC
InChIInChI=1S/C14H19N3O/c1-4-17-12(9-10-16-17)14(15-2)11-7-5-6-8-13(11)18-3/h5-10,14-15H,4H2,1-3H3
InChIKeyZNMVMUHKMFOEPF-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.22
Rot. Bonds5

About 1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine

1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine (PubChem CID 63977212) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
PubChem CID63977212
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
SMILESCCn1nccc1C(NC)c1ccccc1OC
InChIInChI=1S/C14H19N3O/c1-4-17-12(9-10-16-17)14(15-2)11-7-5-6-8-13(11)18-3/h5-10,14-15H,4H2,1-3H3
InChIKeyZNMVMUHKMFOEPF-UHFFFAOYSA-N
XLogP2.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine (CID 63977212) is 1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine is CCn1nccc1C(NC)c1ccccc1OC.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine?
The InChIKey is ZNMVMUHKMFOEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-17-12(9-10-16-17)14(15-2)11-7-5-6-8-13(11)18-3/h5-10,14-15H,4H2,1-3H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine?
1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 63977212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).