(3-ethoxyphenyl)-(2-ethylpyrazol-3-yl)methanamine

C14H19N3O — CID 63975299

IUPAC(3-ethoxyphenyl)-(2-ethylpyrazol-3-yl)methanamine
SMILESCCOc1cccc(C(N)c2ccnn2CC)c1
InChIInChI=1S/C14H19N3O/c1-3-17-13(8-9-16-17)14(15)11-6-5-7-12(10-11)18-4-2/h5-10,14H,3-4,15H2,1-2H3
InChIKeyBCOAMWZMUITTRR-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.35
Rot. Bonds5

About (3-ethoxyphenyl)-(2-ethylpyrazol-3-yl)methanamine

(3-ethoxyphenyl)-(2-ethylpyrazol-3-yl)methanamine (PubChem CID 63975299) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (3-ethoxyphenyl)-(2-ethylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(3-ethoxyphenyl)-(2-ethylpyrazol-3-yl)methanamine
PubChem CID63975299
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(3-ethoxyphenyl)-(2-ethylpyrazol-3-yl)methanamine
SMILESCCOc1cccc(C(N)c2ccnn2CC)c1
InChIInChI=1S/C14H19N3O/c1-3-17-13(8-9-16-17)14(15)11-6-5-7-12(10-11)18-4-2/h5-10,14H,3-4,15H2,1-2H3
InChIKeyBCOAMWZMUITTRR-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

(3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 63977430
(3-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63974663
(3-chloro-4-methylphenyl)-(3-ethoxyphenyl)methanamine
CID 105022224
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
(3-ethoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 60874665
(3-ethoxyphenyl)-(1,2,4-oxadiazol-3-yl)methanamine
CID 60874664
(3-ethoxyphenyl)-(3-iodophenyl)methanamine
CID 105022183
(3-ethoxyphenyl)-(3-fluorophenyl)methanamine
CID 60798040
(2-ethylpyrazol-3-yl)-(2,4,5-trimethoxyphenyl)methanamine
CID 115857825
(3-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 82729975
(2-ethylpyrazol-3-yl)-quinolin-8-ylmethanamine
CID 105148379
2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethanol
CID 105098116

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-(2-ethylpyrazol-3-yl)methanamine?
The IUPAC name of (3-ethoxyphenyl)-(2-ethylpyrazol-3-yl)methanamine (CID 63975299) is (3-ethoxyphenyl)-(2-ethylpyrazol-3-yl)methanamine.
What is the SMILES notation for (3-ethoxyphenyl)-(2-ethylpyrazol-3-yl)methanamine?
The canonical SMILES for (3-ethoxyphenyl)-(2-ethylpyrazol-3-yl)methanamine is CCOc1cccc(C(N)c2ccnn2CC)c1.
What is the InChIKey of (3-ethoxyphenyl)-(2-ethylpyrazol-3-yl)methanamine?
The InChIKey is BCOAMWZMUITTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-17-13(8-9-16-17)14(15)11-6-5-7-12(10-11)18-4-2/h5-10,14H,3-4,15H2,1-2H3.
What are the key properties of (3-ethoxyphenyl)-(2-ethylpyrazol-3-yl)methanamine?
(3-ethoxyphenyl)-(2-ethylpyrazol-3-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 (3-ethoxyphenyl)-(2-ethylpyrazol-3-yl)methanamine is sourced from PubChem (CID 63975299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).