5-[4-(2-methoxyethyl)phenyl]-1H-pyrazol-3-amine

C12H15N3O — CID 117309554

IUPAC5-[4-(2-methoxyethyl)phenyl]-1H-pyrazol-3-amine
SMILESCOCCc1ccc(-c2cc(N)n[nH]2)cc1
InChIInChI=1S/C12H15N3O/c1-16-7-6-9-2-4-10(5-3-9)11-8-12(13)15-14-11/h2-5,8H,6-7H2,1H3,(H3,13,14,15)
InChIKeyFRJBTNCSFZYTTH-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.85
Rot. Bonds4

About 5-[4-(2-methoxyethyl)phenyl]-1H-pyrazol-3-amine

5-[4-(2-methoxyethyl)phenyl]-1H-pyrazol-3-amine (PubChem CID 117309554) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-[4-(2-methoxyethyl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[4-(2-methoxyethyl)phenyl]-1H-pyrazol-3-amine
PubChem CID117309554
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-[4-(2-methoxyethyl)phenyl]-1H-pyrazol-3-amine
SMILESCOCCc1ccc(-c2cc(N)n[nH]2)cc1
InChIInChI=1S/C12H15N3O/c1-16-7-6-9-2-4-10(5-3-9)11-8-12(13)15-14-11/h2-5,8H,6-7H2,1H3,(H3,13,14,15)
InChIKeyFRJBTNCSFZYTTH-UHFFFAOYSA-N
XLogP1.85
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(2-fluoroethyl)phenyl]-1H-pyrazol-3-amine
CID 117293401
5-[4-(2-methylsulfonylethyl)phenyl]-1H-pyrazol-3-amine
CID 115111556
5-[4-(2-methoxy-2-methylpropyl)phenyl]-1H-pyrazol-3-amine
CID 115111529
5-(4-benzylphenyl)-1H-pyrazol-3-amine
CID 3651142
5-[4-(2-piperidin-1-ylethyl)phenyl]-1H-pyrazol-3-amine
CID 117429379
5-(3-methoxypropyl)-1H-pyrazol-3-amine
CID 45121235
5-[2-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine
CID 62503288
N-(2-methoxyethyl)-5-(4-propylphenyl)-1H-pyrazol-3-amine
CID 55145955
5-[4-methoxy-3-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117338097
[4-[4-(2-methoxyethyl)phenyl]phenyl]methanamine
CID 61034030
5-(4-hydroperoxyphenyl)-1H-pyrazol-3-amine
CID 163569629
5-[[4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrazol-3-amine
CID 90156722

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyethyl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[4-(2-methoxyethyl)phenyl]-1H-pyrazol-3-amine (CID 117309554) is 5-[4-(2-methoxyethyl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[4-(2-methoxyethyl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[4-(2-methoxyethyl)phenyl]-1H-pyrazol-3-amine is COCCc1ccc(-c2cc(N)n[nH]2)cc1.
What is the InChIKey of 5-[4-(2-methoxyethyl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is FRJBTNCSFZYTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-16-7-6-9-2-4-10(5-3-9)11-8-12(13)15-14-11/h2-5,8H,6-7H2,1H3,(H3,13,14,15).
What are the key properties of 5-[4-(2-methoxyethyl)phenyl]-1H-pyrazol-3-amine?
5-[4-(2-methoxyethyl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 217.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyethyl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117309554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).