(2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine

C14H19N3O — CID 113330367

IUPAC(2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine
SMILESCCOc1ccccc1C(N)c1cnn(CC)c1
InChIInChI=1S/C14H19N3O/c1-3-17-10-11(9-16-17)14(15)12-7-5-6-8-13(12)18-4-2/h5-10,14H,3-4,15H2,1-2H3
InChIKeyIHTAKNXMQFFKKN-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.35
Rot. Bonds5

About (2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine

(2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine (PubChem CID 113330367) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine
PubChem CID113330367
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine
SMILESCCOc1ccccc1C(N)c1cnn(CC)c1
InChIInChI=1S/C14H19N3O/c1-3-17-10-11(9-16-17)14(15)12-7-5-6-8-13(12)18-4-2/h5-10,14H,3-4,15H2,1-2H3
InChIKeyIHTAKNXMQFFKKN-UHFFFAOYSA-N
XLogP2.35
TPSA53.07 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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115815562
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 78936450
(1-ethylpyrazol-4-yl)-quinolin-8-ylmethanamine
CID 105109051
(2-bromo-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 114024187
(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine
CID 43197136
(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812331
(2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115816294
1-(2-ethoxyphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 64628170
(2-ethoxyphenyl)-pyrazin-2-ylmethanamine
CID 62801551
(2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115533717
(4-bromo-2-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115815769
(2-ethoxyphenyl)-(2-ethylphenyl)methanamine
CID 115853715

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine?
The IUPAC name of (2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine (CID 113330367) is (2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine.
What is the SMILES notation for (2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine?
The canonical SMILES for (2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine is CCOc1ccccc1C(N)c1cnn(CC)c1.
What is the InChIKey of (2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine?
The InChIKey is IHTAKNXMQFFKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-17-10-11(9-16-17)14(15)12-7-5-6-8-13(12)18-4-2/h5-10,14H,3-4,15H2,1-2H3.
What are the key properties of (2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine?
(2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine has a molecular weight of 245.33 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 113330367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).