5-methoxy-2-(1H-pyrazol-5-yl)aniline

C10H11N3O — CID 135065267

IUPAC5-methoxy-2-(1H-pyrazol-5-yl)aniline
SMILESCOc1ccc(-c2ccn[nH]2)c(N)c1
InChIInChI=1S/C10H11N3O/c1-14-7-2-3-8(9(11)6-7)10-4-5-12-13-10/h2-6H,11H2,1H3,(H,12,13)
InChIKeyMJSIFMNCNRHHRE-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.67
Rot. Bonds2

About 5-methoxy-2-(1H-pyrazol-5-yl)aniline

5-methoxy-2-(1H-pyrazol-5-yl)aniline (PubChem CID 135065267) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-methoxy-2-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound Name5-methoxy-2-(1H-pyrazol-5-yl)aniline
PubChem CID135065267
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name5-methoxy-2-(1H-pyrazol-5-yl)aniline
SMILESCOc1ccc(-c2ccn[nH]2)c(N)c1
InChIInChI=1S/C10H11N3O/c1-14-7-2-3-8(9(11)6-7)10-4-5-12-13-10/h2-6H,11H2,1H3,(H,12,13)
InChIKeyMJSIFMNCNRHHRE-UHFFFAOYSA-N
XLogP1.67
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-Amino-5-(4-methoxyphenyl)pyrazole
CID 2756469
3,5-bis(4-methoxyphenyl)-1H-pyrazole
CID 658538
5-(4-phenoxyphenyl)-1H-pyrazole
CID 2806138
5-Methoxy-1H-indazole
CID 13346860
3-(4-(4-Fluorophenoxy)phenyl)-1H-pyrazole
CID 9816478
4-(5-(4-Methoxyphenyl)-1H-pyrazol-3-yl)piperidine
CID 1486801
4-(4-methoxyphenyl)-3-methyl-1H-pyrazole
CID 2805464
5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole
CID 2806185
4-Methoxy-1H-indazole
CID 24729333
3-(4-Methoxyphenyl)-1H-Pyrazole
CID 599984
3-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 745487
3-(3-Methoxyphenyl)-1H-Pyrazole
CID 2736766

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(1H-pyrazol-5-yl)aniline?
The IUPAC name of 5-methoxy-2-(1H-pyrazol-5-yl)aniline (CID 135065267) is 5-methoxy-2-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for 5-methoxy-2-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for 5-methoxy-2-(1H-pyrazol-5-yl)aniline is COc1ccc(-c2ccn[nH]2)c(N)c1.
What is the InChIKey of 5-methoxy-2-(1H-pyrazol-5-yl)aniline?
The InChIKey is MJSIFMNCNRHHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-14-7-2-3-8(9(11)6-7)10-4-5-12-13-10/h2-6H,11H2,1H3,(H,12,13).
What are the key properties of 5-methoxy-2-(1H-pyrazol-5-yl)aniline?
5-methoxy-2-(1H-pyrazol-5-yl)aniline has a molecular weight of 189.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 135065267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).