(3-ethoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine

C16H23N3O2 — CID 114646162

IUPAC(3-ethoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
SMILESCCOc1cccc(C(N)c2c(OC)cnn2C(C)C)c1
InChIInChI=1S/C16H23N3O2/c1-5-21-13-8-6-7-12(9-13)15(17)16-14(20-4)10-18-19(16)11(2)3/h6-11,15H,5,17H2,1-4H3
InChIKeySLKUCTCXHSETDU-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.92
Rot. Bonds6

About (3-ethoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine

(3-ethoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine (PubChem CID 114646162) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (3-ethoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-ethoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
PubChem CID114646162
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(3-ethoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
SMILESCCOc1cccc(C(N)c2c(OC)cnn2C(C)C)c1
InChIInChI=1S/C16H23N3O2/c1-5-21-13-8-6-7-12(9-13)15(17)16-14(20-4)10-18-19(16)11(2)3/h6-11,15H,5,17H2,1-4H3
InChIKeySLKUCTCXHSETDU-UHFFFAOYSA-N
XLogP2.92
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanamine
CID 105047835
[(3-ethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105192015
(3-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114634160
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methanamine
CID 114648806
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methanamine
CID 105048345
(5-bromo-3-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114658286
(2-fluoro-5-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105048143
(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156095
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)hexan-1-amine
CID 105048318
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105048161
(3-ethoxyphenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 63975299

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine?
The IUPAC name of (3-ethoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine (CID 114646162) is (3-ethoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine.
What is the SMILES notation for (3-ethoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine?
The canonical SMILES for (3-ethoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine is CCOc1cccc(C(N)c2c(OC)cnn2C(C)C)c1.
What is the InChIKey of (3-ethoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine?
The InChIKey is SLKUCTCXHSETDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-21-13-8-6-7-12(9-13)15(17)16-14(20-4)10-18-19(16)11(2)3/h6-11,15H,5,17H2,1-4H3.
What are the key properties of (3-ethoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine?
(3-ethoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine has a molecular weight of 289.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine is sourced from PubChem (CID 114646162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).